#------------------------------------------------------------------------------
#$Date: 2023-04-04 12:54:24 +0300 (Tue, 04 Apr 2023) $
#$Revision: 282282 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/84/1568486.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1568486
loop_
_publ_author_name
'Li, Longbo'
'Matsuo, Bianca'
'Levitre, Guillaume'
'McClain, Edward J.'
'Voight, Eric A.'
'Crane, Erika A.'
'Molander, Gary A.'
_publ_section_title
;
 Dearomative intermolecular [2 + 2] photocycloaddition for construction of
 C(sp³)-rich heterospirocycles on-DNA.
;
_journal_issue                   10
_journal_name_full               'Chemical science'
_journal_page_first              2713
_journal_page_last               2720
_journal_paper_doi               10.1039/d3sc00144j
_journal_volume                  14
_journal_year                    2023
_chemical_formula_moiety         'C24 H31 N O6'
_chemical_formula_sum            'C24 H31 N O6'
_chemical_formula_weight         429.50
_space_group_crystal_system      monoclinic
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2022-07-27
_audit_creation_method
;
Olex2 1.5
(compiled 2021.08.20 svn.r13c46975 for OlexSys, GUI svn.r6396)
;
_audit_update_record
;
2022-10-26 deposited with the CCDC.	2023-02-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 137.586(13)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   22.0386(15)
_cell_length_b                   13.2446(3)
_cell_length_c                   11.5475(8)
_cell_measurement_reflns_used    11718
_cell_measurement_temperature    100
_cell_measurement_theta_max      74.3750
_cell_measurement_theta_min      4.4450
_cell_volume                     2273.4(6)
_computing_cell_refinement       'CrysAlisPro 1.171.41.122a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.122a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.122a (Rigaku OD, 2021)'
_computing_molecular_graphics    'ORTEP-3 (Farrugia, 2012)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT (Sheldrick, 2018)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      100
_diffrn_detector                 'HPC area detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix-6000HE
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω   -120.00 -35.00   0.50    2.00    --  -47.04 -37.00  41.00  170
  2  ω    -26.00  39.00   0.50    2.00    --   47.04 -37.00  41.00  130
  3  ω     35.00 120.00   0.50    2.00    --   47.04  37.00-162.00  170
  4  ω    -45.00 -17.00   0.50    2.00    --  -90.00  37.00-162.00   56
  5  ω   -163.00 -77.00   0.50    2.00    --  -90.00 -37.00  41.00  172
  6  ω    101.00 178.00   0.50    2.00    --  113.25  37.00-162.00  154
  7  ω    -30.00  28.00   0.50    2.00    --  -47.04  19.00  30.00  116
  8  ω    -30.00  28.00   0.50    2.00    --  -47.04  19.00 -30.00  116
  9  ω    -45.00  26.00   0.50    2.00    --  -47.04  37.00-162.00  142
 10  ω     35.00 120.00   0.50    2.00    --   47.04  37.00 -90.00  170
 11  ω    -26.00  39.00   0.50    2.00    --   47.04 -37.00 -60.00  130
 12  ω    -25.00  70.00   0.50    2.00    --   47.04 -77.00-180.00  190
 13  ω    -54.00 -18.00   0.50    2.00    --  -90.00  45.00 -60.00   72
 14  ω   -109.00 -17.00   0.50    2.00    --  -90.00  77.00  60.00  184
 15  ω    -74.00 -17.00   0.50    2.00    --  -90.00  61.00   0.00  114
 16  ω   -109.00 -17.00   0.50    2.00    --  -90.00  77.00 -60.00  184
 17  ω   -109.00 -17.00   0.50    2.00    --  -90.00  77.00-180.00  184
 18  ω     48.00 102.00   0.50    2.00    --  113.25 -77.00  60.00  108
 19  ω    102.00 133.00   0.50    2.00    --  113.25  15.00-180.00   62
 20  ω    141.00 174.00   0.50    2.00    --  113.25  45.00 -90.00   66
 21  ω     42.00  68.00   0.50    2.00    --  113.25 -61.00-180.00   52
 22  ω    103.00 178.00   0.50    2.00    --  113.25  45.00   0.00  150
 23  ω    137.00 163.00   0.50    2.00    --  113.25  77.00 120.00   52
 24  ω    109.00 138.00   0.50    2.00    --  113.25  45.00 -90.00   58
 25  ω     74.00 102.00   0.50    2.00    --  113.25 -77.00 -60.00   56
 26  ω    144.00 170.00   0.50    2.00    --  113.25  45.00  60.00   52
 27  ω     91.00 135.00   0.50    2.00    --  113.25  77.00 120.00   88
 28  ω    101.00 133.00   0.50    2.00    --  113.25  45.00  60.00   64
 29  ω     54.00 102.00   0.50    2.00    --  113.25 -80.00 127.41   96
 30  ω     71.00  97.00   0.50    2.00    --  113.25 -77.00  30.00   52
 31  ω     67.00 119.00   0.50    2.00    --  113.25 -80.00  -5.36  104
 32  ω     42.00  67.00   0.50    2.00    --  113.25 -61.00  90.00   50
 33  ω     50.00 102.00   0.50    2.00    --  113.25 -77.00 150.00  104
 34  ω    141.00 172.00   0.50    2.00    --  113.25  15.00-180.00   62
 35  ω     48.00  86.00   0.50    2.00    --  113.25 -77.00-120.00   76
 36  ω    153.00 178.00   0.50    2.00    --  113.25  61.00  90.00   50
 37  ω     54.00 100.00   0.50    2.00    --  113.25 -77.00-180.00   92
 38  ω     99.00 139.00   0.50    2.00    --  113.25  61.00  90.00   80
 39  ω     44.00  97.00   0.50    2.00    --  113.25 -77.00 -90.00  106
 40  ω     67.00 129.00   0.50    2.00    --  113.25 -80.00-129.80  124
 41  ω     43.00  68.00   0.50    2.00    --  113.25 -61.00   0.00   50
 42  ω     45.00  72.00   0.50    2.00    --  113.25 -66.00 -33.61   54
 43  ω    106.00 154.00   0.50    2.00    --  113.25  45.00 -60.00   96
 44  ω     79.00 118.00   0.50    2.00    --  113.25 -80.00  72.07   78
 45  ω     94.00 177.00   0.50    2.00    --  113.25  77.00-150.00  166
 46  ω     48.00 101.00   0.50    2.00    --  113.25 -77.00   0.00  106
 47  ω     42.00  67.00   0.50    2.00    --  113.25 -61.00-150.00   50
;
_diffrn_measurement_device       'κ-geometry diffractometer'
_diffrn_measurement_device_type  'Rigaku XtaLAB Synergy-S'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0880665000
_diffrn_orient_matrix_UB_12      0.0592076000
_diffrn_orient_matrix_UB_13      -0.1427395000
_diffrn_orient_matrix_UB_21      -0.0343072000
_diffrn_orient_matrix_UB_22      -0.0839281000
_diffrn_orient_matrix_UB_23      -0.1296242000
_diffrn_orient_matrix_UB_31      -0.0425407000
_diffrn_orient_matrix_UB_32      -0.0546234000
_diffrn_orient_matrix_UB_33      0.0441615000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0430
_diffrn_reflns_av_unetI/netI     0.0305
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            17402
_diffrn_reflns_point_group_measured_fraction_full 0.873
_diffrn_reflns_point_group_measured_fraction_max 0.855
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.670
_diffrn_reflns_theta_min         4.471
_diffrn_source                   'micro-focus sealed X-ray tube'
_diffrn_source_type              'PhotonJet (Cu) X-ray Source'
_exptl_absorpt_coefficient_mu    0.735
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.43100
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SCALE3 ABSPACK'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.255
_exptl_crystal_description       needle
_exptl_crystal_F_000             920
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_refine_diff_density_max         0.235
_refine_diff_density_min         -0.212
_refine_diff_density_rms         0.043
_refine_ls_abs_structure_details
;
 Flack x determined using 1453 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.14(12)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     285
_refine_ls_number_reflns         3997
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0415
_refine_ls_R_factor_gt           0.0392
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0719P)²+0.2868P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1042
_refine_ls_wR_factor_ref         0.1069
_reflns_Friedel_coverage         0.713
_reflns_Friedel_fraction_full    0.745
_reflns_Friedel_fraction_max     0.713
_reflns_number_gt                3771
_reflns_number_total             3997
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d3sc00144j2.cif
_cod_data_source_block           9259
_cod_depositor_comments          'Adding full bibliography for 1568486.cif.'
_cod_original_cell_volume        2273.4(4)
_cod_database_code               1568486
_shelx_shelxl_version_number     2018/3
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.997
_oxdiff_exptl_absorpt_empirical_full_min 0.679
loop_
_space_group_symop_operation_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
O1 O 0.74839(12) 0.42427(13) 0.9950(2) 0.0272(4) Uani 1 1 d . . . . .
O2 O 0.79937(12) 0.58188(13) 1.1141(2) 0.0315(4) Uani 1 1 d . . . . .
O3 O 0.63281(13) 0.36617(13) 1.0321(2) 0.0302(4) Uani 1 1 d . . . . .
O4 O 0.54522(13) 0.28890(14) 0.7774(2) 0.0361(5) Uani 1 1 d . . . . .
O5 O 0.19442(14) 0.57522(16) -0.0130(2) 0.0390(5) Uani 1 1 d . . . . .
O6 O 0.29552(14) 0.47419(18) 0.0449(3) 0.0416(5) Uani 1 1 d . . . . .
N1 N 0.65203(14) 0.53470(15) 0.9296(3) 0.0255(4) Uani 1 1 d . . . . .
C1 C 0.61452(17) 0.62887(18) 0.9105(3) 0.0270(5) Uani 1 1 d . . . . .
C2 C 0.6592(2) 0.7168(2) 1.0054(3) 0.0324(6) Uani 1 1 d . . . . .
H2 H 0.722954 0.721043 1.093915 0.039 Uiso 1 1 calc R U . . .
C3 C 0.6059(2) 0.7989(2) 0.9647(4) 0.0390(7) Uani 1 1 d . . . . .
H3 H 0.634436 0.860285 1.026387 0.047 Uiso 1 1 calc R U . . .
C4 C 0.5129(2) 0.7931(2) 0.8371(4) 0.0399(7) Uani 1 1 d . . . . .
H4 H 0.478640 0.849524 0.813816 0.048 Uiso 1 1 calc R U . . .
C5 C 0.4696(2) 0.7042(2) 0.7425(3) 0.0335(6) Uani 1 1 d . . . . .
H5 H 0.405875 0.699689 0.654634 0.040 Uiso 1 1 calc R U . . .
C6 C 0.52063(18) 0.62279(19) 0.7784(3) 0.0277(5) Uani 1 1 d . . . . .
C7 C 0.49004(16) 0.51913(19) 0.6986(3) 0.0265(5) Uani 1 1 d . . . . .
H7 H 0.451459 0.484121 0.702684 0.032 Uiso 1 1 calc R U . . .
C8 C 0.58044(16) 0.46311(18) 0.7993(3) 0.0248(5) Uani 1 1 d . . . . .
C9 C 0.55425(18) 0.4588(2) 0.6332(3) 0.0278(5) Uani 1 1 d . . . . .
H9a H 0.590725 0.503993 0.634913 0.033 Uiso 1 1 calc R U . . .
H9b H 0.552877 0.389508 0.599258 0.033 Uiso 1 1 calc R U . . .
C10 C 0.46024(17) 0.50134(19) 0.5292(3) 0.0265(5) Uani 1 1 d . . . . .
C11 C 0.37596(18) 0.43548(19) 0.3909(3) 0.0302(5) Uani 1 1 d . . . . .
H11a H 0.352766 0.403720 0.429857 0.036 Uiso 1 1 calc R U . . .
H11b H 0.383322 0.384721 0.339056 0.036 Uiso 1 1 calc R U . . .
C12 C 0.32222(17) 0.53003(19) 0.2772(3) 0.0288(5) Uani 1 1 d . . . . .
H12 H 0.284308 0.557190 0.288175 0.035 Uiso 1 1 calc R U . . .
C13 C 0.41340(17) 0.58754(18) 0.3953(3) 0.0261(5) Uani 1 1 d . . . . .
H13a H 0.435031 0.594896 0.345183 0.031 Uiso 1 1 calc R U . . .
H13b H 0.414095 0.653275 0.437135 0.031 Uiso 1 1 calc R U . . .
C14 C 0.74024(17) 0.51974(18) 1.0230(3) 0.0252(5) Uani 1 1 d . . . . .
C15 C 0.83400(17) 0.3888(2) 1.0658(3) 0.0312(6) Uani 1 1 d . . . . .
C16 C 0.8131(2) 0.2790(2) 1.0107(4) 0.0415(7) Uani 1 1 d . . . . .
H16a H 0.793054 0.245500 1.053556 0.062 Uiso 1 1 calc R U . . .
H16b H 0.867323 0.245507 1.057873 0.062 Uiso 1 1 calc R U . . .
H16c H 0.765448 0.275121 0.885085 0.062 Uiso 1 1 calc R U . . .
C17 C 0.9093(2) 0.3962(2) 1.2599(4) 0.0438(8) Uani 1 1 d . . . . .
H17a H 0.921891 0.467448 1.294010 0.066 Uiso 1 1 calc R U . . .
H17b H 0.963465 0.363910 1.305265 0.066 Uiso 1 1 calc R U . . .
H17c H 0.891134 0.362172 1.305978 0.066 Uiso 1 1 calc R U . . .
C18 C 0.8529(2) 0.4475(3) 0.9829(5) 0.0493(8) Uani 1 1 d . . . . .
H18a H 0.902741 0.415646 1.011141 0.074 Uiso 1 1 calc R U . . .
H18b H 0.869281 0.517021 1.025895 0.074 Uiso 1 1 calc R U . . .
H18c H 0.799113 0.447829 0.858107 0.074 Uiso 1 1 calc R U . . .
C19 C 0.58626(16) 0.36248(19) 0.8691(3) 0.0260(5) Uani 1 1 d . . . . .
C20 C 0.6387(2) 0.2736(2) 1.1086(4) 0.0356(6) Uani 1 1 d . . . . .
H20a H 0.626872 0.214211 1.042054 0.043 Uiso 1 1 calc R U . . .
H20b H 0.593492 0.274543 1.107759 0.043 Uiso 1 1 calc R U . . .
C21 C 0.7309(2) 0.2672(2) 1.2882(4) 0.0376(6) Uani 1 1 d . . . . .
H21a H 0.775189 0.265735 1.287668 0.056 Uiso 1 1 calc R U . . .
H21b H 0.736359 0.205578 1.342260 0.056 Uiso 1 1 calc R U . . .
H21c H 0.742018 0.326215 1.353050 0.056 Uiso 1 1 calc R U . . .
C22 C 0.27021(18) 0.5213(2) 0.0933(3) 0.0304(6) Uani 1 1 d . . . . .
C23 C 0.1449(2) 0.5795(2) -0.1929(4) 0.0456(8) Uani 1 1 d . . . . .
H23a H 0.188171 0.587242 -0.196531 0.055 Uiso 1 1 calc R U . . .
H23b H 0.104890 0.639244 -0.249215 0.055 Uiso 1 1 calc R U . . .
C24 C 0.0901(2) 0.4868(3) -0.2890(4) 0.0513(8) Uani 1 1 d . . . . .
H24a H 0.055126 0.493973 -0.409771 0.077 Uiso 1 1 calc R U . . .
H24b H 0.049119 0.477233 -0.281204 0.077 Uiso 1 1 calc R U . . .
H24c H 0.130006 0.428162 -0.239319 0.077 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C14 O1 C15 120.6(2) . . ?
C19 O3 C20 117.3(2) . . ?
C22 O5 C23 116.1(2) . . ?
C1 N1 C8 110.3(2) . . ?
C14 N1 C1 124.9(2) . . ?
C14 N1 C8 122.7(2) . . ?
C2 C1 N1 128.4(2) . . ?
C2 C1 C6 121.6(2) . . ?
C6 C1 N1 110.0(2) . . ?
C1 C2 C3 117.1(3) . . ?
C4 C3 C2 121.9(3) . . ?
C3 C4 C5 119.9(3) . . ?
C6 C5 C4 119.2(3) . . ?
C1 C6 C7 110.7(2) . . ?
C5 C6 C1 120.2(3) . . ?
C5 C6 C7 129.0(3) . . ?
C6 C7 C8 103.2(2) . . ?
C6 C7 C10 119.4(2) . . ?
C10 C7 C8 89.25(19) . . ?
N1 C8 C7 105.73(19) . . ?
N1 C8 C9 115.6(2) . . ?
N1 C8 C19 114.79(19) . . ?
C9 C8 C7 89.48(18) . . ?
C19 C8 C7 112.0(2) . . ?
C19 C8 C9 115.9(2) . . ?
C10 C9 C8 90.49(19) . . ?
C9 C10 C7 89.96(19) . . ?
C9 C10 C11 119.9(2) . . ?
C9 C10 C13 124.6(2) . . ?
C11 C10 C7 117.1(2) . . ?
C11 C10 C13 88.71(18) . . ?
C13 C10 C7 119.7(2) . . ?
C10 C11 C12 90.18(19) . . ?
C11 C12 C13 88.18(19) . . ?
C22 C12 C11 116.4(2) . . ?
C22 C12 C13 114.9(2) . . ?
C10 C13 C12 89.54(18) . . ?
O1 C14 N1 108.0(2) . . ?
O2 C14 O1 126.8(2) . . ?
O2 C14 N1 125.2(2) . . ?
O1 C15 C16 101.9(2) . . ?
O1 C15 C17 110.8(2) . . ?
O1 C15 C18 108.9(2) . . ?
C16 C15 C17 110.2(2) . . ?
C18 C15 C16 111.6(3) . . ?
C18 C15 C17 113.0(3) . . ?
O3 C19 C8 113.4(2) . . ?
O4 C19 O3 124.5(2) . . ?
O4 C19 C8 121.8(2) . . ?
O3 C20 C21 108.1(2) . . ?
O5 C22 C12 113.0(2) . . ?
O6 C22 O5 122.7(2) . . ?
O6 C22 C12 124.2(2) . . ?
O5 C23 C24 111.6(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
O1 C14 1.349(3) . ?
O1 C15 1.474(3) . ?
O2 C14 1.208(3) . ?
O3 C19 1.322(3) . ?
O3 C20 1.460(3) . ?
O4 C19 1.215(3) . ?
O5 C22 1.334(3) . ?
O5 C23 1.471(4) . ?
O6 C22 1.214(3) . ?
N1 C1 1.421(3) . ?
N1 C8 1.465(3) . ?
N1 C14 1.373(3) . ?
C1 C2 1.390(4) . ?
C1 C6 1.398(4) . ?
C2 C3 1.402(4) . ?
C3 C4 1.385(5) . ?
C4 C5 1.397(4) . ?
C5 C6 1.382(4) . ?
C6 C7 1.507(4) . ?
C7 C8 1.565(3) . ?
C7 C10 1.554(3) . ?
C8 C9 1.543(4) . ?
C8 C19 1.513(3) . ?
C9 C10 1.542(4) . ?
C10 C11 1.543(4) . ?
C10 C13 1.550(3) . ?
C11 C12 1.549(3) . ?
C12 C13 1.559(4) . ?
C12 C22 1.497(4) . ?
C15 C16 1.515(4) . ?
C15 C17 1.515(4) . ?
C15 C18 1.511(5) . ?
C20 C21 1.488(4) . ?
C23 C24 1.490(5) . ?
