#------------------------------------------------------------------------------
#$Date: 2022-10-07 03:56:02 +0300 (Fri, 07 Oct 2022) $
#$Revision: 278424 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/24/49/7244969.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_7244969
loop_
_publ_author_name
'Zhou, Chunlin'
'Wang, Xinchao'
'Yang, Lei'
'Fu, Lei'
'Li, Gang'
_publ_section_title
;
 Visible-light-driven regioselective carbocarboxylation of 1,3-dienes with
 organic halides and CO2
;
_journal_issue                   16
_journal_name_full               'Green Chemistry'
_journal_page_first              6100
_journal_page_last               6107
_journal_paper_doi               10.1039/D2GC01256A
_journal_volume                  24
_journal_year                    2022
_chemical_formula_moiety         'C18 H18 O2'
_chemical_formula_sum            'C18 H18 O2'
_chemical_formula_weight         266.34
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_audit_block_doi                 10.5517/ccdc.csd.cc291rqv
_audit_creation_date             2021-10-19
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2021-10-20 deposited with the CCDC.	2022-05-20 downloaded from the CCDC.
;
_cell_angle_alpha                101.608(2)
_cell_angle_beta                 109.911(2)
_cell_angle_gamma                92.242(2)
_cell_formula_units_Z            2
_cell_length_a                   8.8580(2)
_cell_length_b                   9.5201(2)
_cell_length_c                   9.7104(2)
_cell_measurement_reflns_used    11237
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      60.4980
_cell_measurement_theta_min      4.1470
_cell_volume                     749.00(3)
_computing_cell_refinement       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_collection       'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_data_reduction        'CrysAlisPro 1.171.41.93a (Rigaku OD, 2020)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_diffrn_ambient_temperature      293.0
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 0.9864
_diffrn_measured_fraction_theta_max 0.9864
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     50.00  80.00   0.50    0.05    --   73.53  77.00   0.00   60
  2  ω     52.00  90.00   0.50    0.05    --   73.53  77.00  60.00   76
  3  ω    122.00 147.00   0.50    0.05    --   73.53  77.00 120.00   50
  4  ω    119.00 145.00   0.50    0.05    --   73.53  77.00   0.00   52
  5  ω     50.00  76.00   0.50    0.05    --   73.53  77.00 150.00   52
  6  ω     90.00 146.00   0.50    0.05    --   73.53  77.00 -60.00  112
  7  ω     50.00 147.00   0.50    0.05    --   73.53  77.00-150.00  194
  8  ω    109.00 135.00   0.50    0.05    --   73.53  77.00-180.00   52
  9  ω     50.00  85.00   0.50    0.05    --   73.53  77.00-180.00   70
 10  ω     50.00  75.00   0.50    0.05    --   73.53  77.00-120.00   50
 11  ω     50.00  81.00   0.50    0.05    --   73.53  77.00 -60.00   62
 12  ω     51.00  89.00   0.50    0.05    --   73.53  77.00 -30.00   76
 13  ω     50.00  76.00   0.50    0.05    --   73.53  77.00 -90.00   52
 14  ω     50.00 106.00   0.50    0.05    --   73.53  77.00  30.00  112
 15  ω     50.00  86.00   0.50    0.05    --   73.53  77.00  90.00   72
 16  ω     99.00 140.00   0.50    0.05    --   73.53  77.00  90.00   82
 17  ω    121.00 147.00   0.50    0.05    --   73.53  77.00 150.00   52
 18  ω     50.00 105.00   0.50    0.05    --   73.53  77.00 120.00  110
 19  ω     60.00  96.00   0.50    0.05    --   73.53  38.00   0.00   72
 20  ω     58.00  84.00   0.50    0.05    --   73.53  57.00 -60.00   52
 21  ω     57.00  83.00   0.50    0.05    --   73.53  57.00 -90.00   52
 22  ω     89.00 116.00   0.50    0.05    --   73.53  57.00 -90.00   54
 23  ω    108.00 141.00   0.50    0.05    --   73.53  38.00   0.00   66
 24  ω     67.00  93.00   0.50    0.05    --   73.53-102.00-126.00   52
 25  ω     21.00 105.00   0.50    0.05    --   73.53-125.00 -60.00  168
 26  ω     24.00 110.00   0.50    0.05    --   73.53-125.00 150.00  172
 27  ω     35.00  69.00   0.50    0.05    --   73.53 -38.00  90.00   68
 28  ω     14.00  39.00   0.50    0.05    --   73.53 -38.00 -90.00   50
 29  ω     44.00  71.00   0.50    0.05    --   73.53 -38.00 -90.00   54
 30  ω     92.00 144.00   0.50    0.05    --   73.53 102.00 -23.00  104
 31  ω    -16.00  70.00   0.50    0.05    --   -0.62  57.00-120.00  172
 32  ω    -17.00  58.00   0.50    0.05    --   -0.62  57.00 -30.00  150
 33  ω    -11.00  14.00   0.50    0.05    --   -0.62  38.00  30.00   50
 34  ω    -13.00  12.00   0.50    0.05    --   -0.62  57.00  60.00   50
 35  ω    -14.00  11.00   0.50    0.05    --   -0.62  38.00 120.00   50
 36  ω     15.00  69.00   0.50    0.05    --   -0.62  38.00 120.00  108
 37  ω     24.00  50.00   0.50    0.05    --   -0.62  57.00  60.00   52
 38  ω     39.00  72.00   0.50    0.05    --   -0.62  38.00  30.00   66
 39  ω     14.00  71.00   0.50    0.05    --   -0.62  38.00-180.00  114
 40  ω    -97.00  -6.00   0.50    0.05    --  -74.78  77.00   0.00  182
 41  ω    -91.00  -6.00   0.50    0.05    --  -74.78  57.00-120.00  170
 42  ω    -71.00 -33.00   0.50    0.05    --  -74.78  38.00  90.00   76
 43  ω    -26.00  -1.00   0.50    0.05    --  -74.78  38.00  90.00   50
 44  ω   -110.00 -20.00   0.50    0.05    --  -74.78 125.00  30.00  180
 45  ω    -75.00 -41.00   0.50    0.05    --  -74.78 102.00 -23.00   68
 46  ω    -82.00 -51.00   0.50    0.05    --  -74.78 -77.00 120.00   62
 47  ω   -147.00 -94.00   0.50    0.05    --  -74.78 -77.00 120.00  106
 48  ω   -143.00 -99.00   0.50    0.05    --  -74.78 -77.00 154.19   88
 49  ω    -93.00 -51.00   0.50    0.05    --  -74.78 -77.00 154.19   84
 50  ω   -142.00 -96.00   0.50    0.05    --  -74.78 -77.00 -30.00   92
 51  ω   -137.00-112.00   0.50    0.05    --  -74.78 -46.00  41.33   50
 52  ω    -77.00 -52.00   0.50    0.05    --  -74.78 -77.00 -30.00   50
 53  ω    -88.00 -63.00   0.50    0.05    --  -74.78 -55.00-114.93   50
 54  ω    -87.00 -56.00   0.50    0.05    --  -74.78 -64.00-160.18   62
 55  ω   -106.00 -58.00   0.50    0.05    --  -74.78 -64.00-129.31   96
 56  ω   -137.00 -60.00   0.50    0.05    --  -74.78 -46.00 -11.97  154
 57  ω   -108.00 -59.00   0.50    0.05    --  -74.78 -46.00  41.33   98
 58  ω   -119.00 -60.00   0.50    0.05    --  -74.78 -46.00 142.06  118
 59  ω   -146.00-114.00   0.50    0.05    --  -74.78-125.00  60.00   64
 60  ω   -126.00 -96.00   0.50    0.05    --  -74.78-102.00-126.00   60
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'ROD, Synergy Custom system, HyPix'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1324897000
_diffrn_orient_matrix_UB_12      -0.0364812000
_diffrn_orient_matrix_UB_13      0.0968082000
_diffrn_orient_matrix_UB_21      0.0741039000
_diffrn_orient_matrix_UB_22      0.1336414000
_diffrn_orient_matrix_UB_23      0.0289947000
_diffrn_orient_matrix_UB_31      -0.0562969000
_diffrn_orient_matrix_UB_32      0.0414499000
_diffrn_orient_matrix_UB_33      0.1117455000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     1.3405
_diffrn_reflns_av_R_equivalents  0.0340
_diffrn_reflns_av_unetI/netI     0.0203
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            19649
_diffrn_reflns_theta_full        60.6394
_diffrn_reflns_theta_max         60.64
_diffrn_reflns_theta_min         4.15
_diffrn_source                   'micro-focus metaljet'
_exptl_absorpt_coefficient_mu    0.383
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.70352
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.93a (Rigaku Oxford Diffraction, 2020)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_density_diffrn    1.1809
_exptl_crystal_description       block
_exptl_crystal_F_000             284.6713
_exptl_crystal_size_max          0.033
_exptl_crystal_size_mid          0.028
_exptl_crystal_size_min          0.025
_refine_diff_density_max         0.2958
_refine_diff_density_min         -0.2085
_refine_diff_density_rms         0.0404
_refine_ls_d_res_high            0.7690
_refine_ls_d_res_low             9.2615
_refine_ls_goodness_of_fit_ref   1.0649
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     253
_refine_ls_number_reflns         3409
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.0649
_refine_ls_R_factor_all          0.0556
_refine_ls_R_factor_gt           0.0443
_refine_ls_shift/su_max          0.0001
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0459P)²+0.1405P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1139
_refine_ls_wR_factor_ref         0.1197
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              10
_reflns_limit_h_min              -11
_reflns_limit_k_max              12
_reflns_limit_k_min              -12
_reflns_limit_l_max              12
_reflns_limit_l_min              0
_reflns_number_gt                2753
_reflns_number_total             3409
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            d2gc01256a2.cif
_cod_data_source_block           18-16-3A_auto
_cod_depositor_comments
'Adding full bibliography for 7244969--7244970.cif.'
_cod_database_code               7244969
_chemical_oxdiff_formula         CHO
_diffrn_oxdiff_digest_frames
;
01488e73417a8202c0db964033be06647e00042e30e
;
_diffrn_oxdiff_digest_hkl
;
01ba1cef8fadee8c89bb071731024bd763829f
;
_reflns_odcompleteness_completeness 99.74
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     56.82
_olex2_refinement_description
;
;
_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 3.527
_oxdiff_exptl_absorpt_empirical_full_min 0.591
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,-z
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_refinement_flags_posn
C1 C 0.22259(17) 0.77814(17) 0.39369(17) 0.0572(3) Uani 1.000000 .
H1 H 0.306(2) 0.8033(17) 0.4951(19) 0.070(5) Uiso 1.000000 .
O1 O 0.52839(11) 0.67101(10) 0.07422(11) 0.0563(3) Uani 1.000000 .
C2 C 0.06190(19) 0.78060(19) 0.3790(2) 0.0668(4) Uani 1.000000 .
H2 H 0.033(2) 0.810(2) 0.466(2) 0.088(6) Uiso 1.000000 .
O2 O 0.42432(14) 0.50190(11) 0.15334(13) 0.0650(3) Uani 1.000000 .
H2a H 0.447(3) 0.443(2) 0.072(3) 0.107(7) Uiso 1.000000 .
C3 C -0.05717(19) 0.73935(19) 0.2394(2) 0.0680(4) Uani 1.000000 .
H3 H -0.168(2) 0.741(2) 0.229(2) 0.094(6) Uiso 1.000000 .
C4 C -0.01632(18) 0.69770(19) 0.1145(2) 0.0671(4) Uani 1.000000 .
H4 H -0.097(2) 0.666(2) 0.013(2) 0.086(5) Uiso 1.000000 .
C5 C 0.14455(17) 0.69728(17) 0.12819(16) 0.0575(3) Uani 1.000000 .
H5 H 0.170(2) 0.6671(18) 0.0383(19) 0.072(5) Uiso 1.000000 .
C6 C 0.26592(14) 0.73630(13) 0.26856(14) 0.0459(3) Uani 1.000000 .
C7 C 0.49962(18) 0.89711(15) 0.27979(17) 0.0538(3) Uani 1.000000 .
H7a H 0.4418(15) 0.9150(13) 0.1812(15) 0.040(3) Uiso 1.000000 .
H7b H 0.4818(19) 0.9719(17) 0.3620(18) 0.067(4) Uiso 1.000000 .
C8 C 0.44547(14) 0.74555(13) 0.28704(14) 0.0455(3) Uani 1.000000 .
C9 C 0.46930(14) 0.63628(13) 0.16005(14) 0.0453(3) Uani 1.000000 .
C10 C 0.54421(16) 0.70484(16) 0.43318(15) 0.0527(3) Uani 1.000000 .
H10 H 0.5065(19) 0.6081(18) 0.4424(18) 0.071(5) Uiso 1.000000 .
C11 C 0.66847(17) 0.78270(17) 0.54363(16) 0.0568(3) Uani 1.000000 .
H11 H 0.7106(19) 0.8815(18) 0.5364(17) 0.068(5) Uiso 1.000000 .
C12 C 0.75455(19) 0.7402(2) 0.68942(19) 0.0704(4) Uani 1.000000 .
H12a H 0.731(2) 0.812(2) 0.781(2) 0.100(6) Uiso 1.000000 .
H12b H 0.713(2) 0.630(2) 0.675(2) 0.101(6) Uiso 1.000000 .
C13 C 0.93492(17) 0.75216(17) 0.72878(15) 0.0587(4) Uani 1.000000 .
C14 C 1.0104(2) 0.6337(2) 0.6941(2) 0.0752(5) Uani 1.000000 .
H14 H 0.945(3) 0.542(2) 0.642(2) 0.101(7) Uiso 1.000000 .
C15 C 1.1761(3) 0.6486(3) 0.7266(3) 0.0962(7) Uani 1.000000 .
H15 H 1.223(3) 0.564(3) 0.693(3) 0.137(9) Uiso 1.000000 .
C16 C 1.2660(3) 0.7807(4) 0.7937(3) 0.1009(8) Uani 1.000000 .
H16 H 1.389(3) 0.811(3) 0.820(3) 0.121(8) Uiso 1.000000 .
C17 C 1.1920(3) 0.8979(3) 0.8293(2) 0.0930(7) Uani 1.000000 .
H17 H 1.259(3) 0.994(3) 0.878(3) 0.120(8) Uiso 1.000000 .
C18 C 1.0279(2) 0.8842(2) 0.79745(19) 0.0730(4) Uani 1.000000 .
H18 H 0.977(3) 0.968(2) 0.827(2) 0.100(7) Uiso 1.000000 .
H7c H 0.619(2) 0.9150(18) 0.2910(19) 0.076(5) Uiso 1.000000 .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
H -0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' custom
C 0.01500 0.00700 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' custom
O 0.04100 0.02500 3.04850 2.28680 1.54630 0.86700 13.27710 5.70110 0.32390
32.90890 0.250800013542
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)' custom
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
C2 C1 H1 118.9(10) . . ?
C6 C1 H1 120.2(10) . . ?
C6 C1 C2 120.82(14) . . ?
H2 C2 C1 120.2(12) . . ?
C3 C2 C1 120.05(15) . . ?
C3 C2 H2 119.7(12) . . ?
C9 O2 H2a 107.7(13) . . ?
H3 C3 C2 120.3(12) . . ?
C4 C3 C2 119.84(14) . . ?
C4 C3 H3 119.9(12) . . ?
H4 C4 C3 122.7(11) . . ?
C5 C4 C3 120.38(15) . . ?
C5 C4 H4 116.9(11) . . ?
H5 C5 C4 118.5(10) . . ?
C6 C5 C4 120.44(14) . . ?
C6 C5 H5 121.1(10) . . ?
C5 C6 C1 118.45(12) . . ?
C8 C6 C1 119.64(11) . . ?
C8 C6 C5 121.73(11) . . ?
H7b C7 H7a 110.7(12) . . ?
C8 C7 H7a 110.4(7) . . ?
C8 C7 H7b 110.1(9) . . ?
H7c C7 H7a 103.1(12) . . ?
H7c C7 H7b 107.3(13) . . ?
H7c C7 C8 114.9(9) . . ?
C7 C8 C6 108.52(10) . . ?
C9 C8 C6 110.01(10) . . ?
C9 C8 C7 108.95(11) . . ?
C10 C8 C6 109.94(10) . . ?
C10 C8 C7 113.00(11) . . ?
C10 C8 C9 106.39(10) . . ?
O2 C9 O1 122.73(12) . . ?
C8 C9 O1 122.72(11) . . ?
C8 C9 O2 114.53(11) . . ?
H10 C10 C8 114.1(9) . . ?
C11 C10 C8 127.11(13) . . ?
C11 C10 H10 118.8(9) . . ?
H11 C11 C10 120.4(9) . . ?
C12 C11 C10 124.50(15) . . ?
C12 C11 H11 115.1(9) . . ?
H12a C12 C11 109.4(11) . . ?
H12b C12 C11 107.4(11) . . ?
H12b C12 H12a 113.2(16) . . ?
C13 C12 C11 112.42(13) . . ?
C13 C12 H12a 107.1(11) . . ?
C13 C12 H12b 107.5(11) . . ?
C14 C13 C12 121.10(16) . . ?
C18 C13 C12 120.31(16) . . ?
C18 C13 C14 118.57(16) . . ?
H14 C14 C13 118.9(13) . . ?
C15 C14 C13 120.0(2) . . ?
C15 C14 H14 121.0(13) . . ?
H15 C15 C14 117.3(16) . . ?
C16 C15 C14 120.5(2) . . ?
C16 C15 H15 122.0(16) . . ?
H16 C16 C15 129.9(13) . . ?
C17 C16 C15 119.6(2) . . ?
C17 C16 H16 110.3(13) . . ?
H17 C17 C16 118.8(15) . . ?
C18 C17 C16 120.2(2) . . ?
C18 C17 H17 121.0(15) . . ?
C17 C18 C13 121.0(2) . . ?
H18 C18 C13 119.2(12) . . ?
H18 C18 C17 119.8(12) . . ?
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
C1 H1 0.984(16) . ?
C1 C2 1.383(2) . ?
C1 C6 1.3846(18) . ?
O1 C9 1.2135(15) . ?
C2 H2 0.95(2) . ?
C2 C3 1.373(2) . ?
O2 H2a 0.96(2) . ?
O2 C9 1.3071(15) . ?
C3 H3 0.96(2) . ?
C3 C4 1.369(2) . ?
C4 H4 0.975(19) . ?
C4 C5 1.386(2) . ?
C5 H5 0.964(17) . ?
C5 C6 1.3852(18) . ?
C6 C8 1.5355(16) . ?
C7 H7a 0.973(13) . ?
C7 H7b 1.018(17) . ?
C7 C8 1.5254(18) . ?
C7 H7c 1.026(18) . ?
C8 C9 1.5250(17) . ?
C8 C10 1.5269(18) . ?
C10 H10 0.999(17) . ?
C10 C11 1.3128(19) . ?
C11 H11 1.023(16) . ?
C11 C12 1.506(2) . ?
C12 H12a 1.09(2) . ?
C12 H12b 1.07(2) . ?
C12 C13 1.505(2) . ?
C13 C14 1.375(2) . ?
C13 C18 1.383(2) . ?
C14 H14 0.97(2) . ?
C14 C15 1.387(3) . ?
C15 H15 0.97(3) . ?
C15 C16 1.371(4) . ?
C16 H16 1.05(2) . ?
C16 C17 1.360(4) . ?
C17 H17 1.00(2) . ?
C17 C18 1.374(3) . ?
C18 H18 0.97(2) . ?
