#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:53:10 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179904 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/00/7020097.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_7020097
loop_
_publ_author_name
'Day, Benjamin M.'
'Knowelden, William'
'Coles, Martyn P.'
_publ_section_title
;
 Synthetic and catalytic intermediates in a magnesium promoted Tishchenko
 reaction.
;
_journal_issue                   36
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10930
_journal_page_last               10933
_journal_paper_doi               10.1039/c2dt31442h
_journal_volume                  41
_journal_year                    2012
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C52 H86 Br2 Mg2 N4 O2'
_chemical_formula_sum            'C52 H86 Br2 Mg2 N4 O2'
_chemical_formula_weight         1007.69
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.3
_audit_creation_date             2006-10-25T08:42:31-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90
_cell_angle_beta                 100.793(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.5449(4)
_cell_length_b                   18.3542(5)
_cell_length_c                   13.3608(4)
_cell_measurement_reflns_used    15765
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      26.022
_cell_measurement_theta_min      3.395
_cell_measurement_wavelength     0.71073
_cell_volume                     2781.04(15)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor 1997)'
_computing_data_collection       'Collect (Nonius BV, 1997-2000)'
_computing_data_reduction
'HKL Denzo and Scalepack (Otwinowski & Minor 1997)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1986)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       '95mm CCD camera on κ-goniostat'
_diffrn_measurement_device_type  KappaCCD
_diffrn_measurement_method       'CCD rotation images, thick slices'
_diffrn_orient_matrix_type       'by Nonius Collect from scalepack cell'
_diffrn_orient_matrix_UB_11      0.82107E-2
_diffrn_orient_matrix_UB_12      -0.517415E-1
_diffrn_orient_matrix_UB_13      -0.210564E-1
_diffrn_orient_matrix_UB_21      -0.865561E-1
_diffrn_orient_matrix_UB_22      -0.20309E-2
_diffrn_orient_matrix_UB_23      -0.280201E-1
_diffrn_orient_matrix_UB_31      0.146972E-1
_diffrn_orient_matrix_UB_32      0.169451E-1
_diffrn_orient_matrix_UB_33      -0.676533E-1
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0534
_diffrn_reflns_av_unetI/netI     0.0521
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            22540
_diffrn_reflns_theta_full        26.04
_diffrn_reflns_theta_max         26.04
_diffrn_reflns_theta_min         3.41
_diffrn_source                   'Enraf Nonius FR590'
_exptl_absorpt_coefficient_mu    1.519
_exptl_absorpt_correction_T_max  0.8283
_exptl_absorpt_correction_T_min  0.7444
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
[c.f. r.h. blessing, acta cryst. (1995), a51, 33-38]
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.203
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.316
_refine_diff_density_min         -0.369
_refine_diff_density_rms         0.055
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     284
_refine_ls_number_reflns         5474
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0793
_refine_ls_R_factor_gt           0.0441
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0312P)²+2.2875P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0828
_refine_ls_wR_factor_ref         0.0956
_reflns_number_gt                3855
_reflns_number_total             5474
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt31442h.txt
_cod_data_source_block           (2)-oct1606
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7020097
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Mg Mg 0.50462(8) 0.07985(5) -0.09026(7) 0.0333(2) Uani 1 1 d .
Br Br 0.51162(3) 0.065639(15) 0.10087(2) 0.04637(12) Uani 1 1 d .
O O 0.34418(17) 0.09118(11) -0.18347(16) 0.0451(5) Uani 1 1 d .
N1 N 0.5604(2) 0.19004(12) -0.09026(17) 0.0336(5) Uani 1 1 d .
N2 N 0.6508(2) 0.09779(11) -0.15349(18) 0.0345(6) Uani 1 1 d .
C1 C 0.6558(2) 0.16760(14) -0.1241(2) 0.0302(6) Uani 1 1 d .
C2 C 0.7618(2) 0.21475(13) -0.1258(2) 0.0295(6) Uani 1 1 d .
C3 C 0.8424(2) 0.22602(14) -0.0353(2) 0.0341(7) Uani 1 1 d .
C4 C 0.9401(3) 0.26978(17) -0.0381(2) 0.0463(8) Uani 1 1 d .
H4 H 0.9948 0.2781 0.0233 0.056 Uiso 1 1 calc R
C5 C 0.9605(3) 0.30172(17) -0.1272(3) 0.0464(8) Uani 1 1 d .
C6 C 0.8800(3) 0.28880(15) -0.2160(2) 0.0388(7) Uani 1 1 d .
H6 H 0.8928 0.3099 -0.2779 0.047 Uiso 1 1 calc R
C7 C 0.7808(2) 0.24565(14) -0.2169(2) 0.0320(6) Uani 1 1 d .
C8 C 0.8280(3) 0.19204(17) 0.0648(2) 0.0442(8) Uani 1 1 d .
H8A H 0.8067 0.2299 0.1099 0.066 Uiso 1 1 calc R
H8B H 0.9023 0.1691 0.097 0.066 Uiso 1 1 calc R
H8C H 0.7655 0.1552 0.0522 0.066 Uiso 1 1 calc R
C9 C 1.0674(3) 0.3494(2) -0.1272(3) 0.0789(13) Uani 1 1 d .
H9A H 1.1139 0.3522 -0.0579 0.118 Uiso 0.5 1 calc PR
H9B H 1.0418 0.3984 -0.1507 0.118 Uiso 0.5 1 calc PR
H9C H 1.1158 0.3285 -0.1729 0.118 Uiso 0.5 1 calc PR
H9D H 1.0671 0.3672 -0.1964 0.118 Uiso 0.5 1 calc PR
H9E H 1.1392 0.321 -0.1036 0.118 Uiso 0.5 1 calc PR
H9F H 1.0652 0.3909 -0.0815 0.118 Uiso 0.5 1 calc PR
C10 C 0.6956(3) 0.23212(15) -0.3152(2) 0.0394(7) Uani 1 1 d .
H10A H 0.6993 0.1808 -0.3344 0.059 Uiso 1 1 calc R
H10B H 0.7166 0.2629 -0.369 0.059 Uiso 1 1 calc R
H10C H 0.6154 0.2439 -0.3061 0.059 Uiso 1 1 calc R
C11 C 0.5442(2) 0.26536(14) -0.0607(2) 0.0355(7) Uani 1 1 d .
H11 H 0.6178 0.2936 -0.063 0.043 Uiso 1 1 calc R
C12 C 0.5175(3) 0.26894(17) 0.0467(2) 0.0472(8) Uani 1 1 d .
H12A H 0.5852 0.2489 0.0954 0.057 Uiso 1 1 calc R
H12B H 0.4478 0.2383 0.0501 0.057 Uiso 1 1 calc R
C13 C 0.4935(3) 0.34704(18) 0.0779(3) 0.0565(9) Uani 1 1 d .
H13A H 0.4735 0.3467 0.1467 0.068 Uiso 1 1 calc R
H13B H 0.5656 0.3768 0.0807 0.068 Uiso 1 1 calc R
C14 C 0.3937(3) 0.38080(18) 0.0036(3) 0.0523(9) Uani 1 1 d .
H14A H 0.3843 0.4323 0.0226 0.063 Uiso 1 1 calc R
H14B H 0.3195 0.3549 0.0075 0.063 Uiso 1 1 calc R
C15 C 0.4156(3) 0.37739(16) -0.1043(2) 0.0502(8) Uani 1 1 d .
H15A H 0.4831 0.4092 -0.1106 0.06 Uiso 1 1 calc R
H15B H 0.3453 0.3959 -0.1516 0.06 Uiso 1 1 calc R
C16 C 0.4417(3) 0.29941(15) -0.1343(2) 0.0409(7) Uani 1 1 d .
H16A H 0.3704 0.2691 -0.1362 0.049 Uiso 1 1 calc R
H16B H 0.4605 0.2998 -0.2037 0.049 Uiso 1 1 calc R
C17 C 0.7497(2) 0.06133(15) -0.1861(2) 0.0378(7) Uani 1 1 d .
H17 H 0.8033 0.0989 -0.2069 0.045 Uiso 1 1 calc R
C18 C 0.8185(3) 0.01599(18) -0.0988(3) 0.0500(8) Uani 1 1 d .
H18A H 0.8531 0.0489 -0.0424 0.06 Uiso 1 1 calc R
H18B H 0.7635 -0.0174 -0.073 0.06 Uiso 1 1 calc R
C19 C 0.9167(3) -0.02848(19) -0.1311(3) 0.0585(9) Uani 1 1 d .
H19A H 0.9764 0.0048 -0.1504 0.07 Uiso 1 1 calc R
H19B H 0.9559 -0.0588 -0.0733 0.07 Uiso 1 1 calc R
C20 C 0.8676(3) -0.07689(17) -0.2203(2) 0.0509(9) Uani 1 1 d .
H20A H 0.9328 -0.1037 -0.2424 0.061 Uiso 1 1 calc R
H20B H 0.8133 -0.1131 -0.1991 0.061 Uiso 1 1 calc R
C21 C 0.8023(3) -0.03267(19) -0.3081(3) 0.0607(10) Uani 1 1 d .
H21A H 0.7682 -0.0658 -0.3644 0.073 Uiso 1 1 calc R
H21B H 0.8584 0.0003 -0.3333 0.073 Uiso 1 1 calc R
C22 C 0.7042(3) 0.01218(16) -0.2766(2) 0.0463(8) Uani 1 1 d .
H22A H 0.6663 0.0425 -0.3349 0.056 Uiso 1 1 calc R
H22B H 0.6437 -0.0211 -0.2587 0.056 Uiso 1 1 calc R
C23 C 0.3398(3) 0.12442(18) -0.2822(2) 0.0520(9) Uani 1 1 d .
H23A H 0.4093 0.1565 -0.2795 0.062 Uiso 1 1 calc R
H23B H 0.2683 0.1551 -0.2986 0.062 Uiso 1 1 calc R
C24 C 0.3382(4) 0.0692(2) -0.3647(3) 0.0746(11) Uani 1 1 d .
H24A H 0.4107 0.0402 -0.3506 0.112 Uiso 1 1 calc R
H24B H 0.3328 0.0941 -0.4303 0.112 Uiso 1 1 calc R
H24C H 0.2699 0.037 -0.3674 0.112 Uiso 1 1 calc R
C25 C 0.2303(3) 0.07062(18) -0.1613(3) 0.0547(9) Uani 1 1 d .
H25A H 0.2402 0.0288 -0.1136 0.066 Uiso 1 1 calc R
H25B H 0.1776 0.0553 -0.2249 0.066 Uiso 1 1 calc R
C26 C 0.1753(3) 0.1331(2) -0.1148(3) 0.0793(12) Uani 1 1 d .
H26A H 0.2288 0.1495 -0.0532 0.119 Uiso 1 1 calc R
H26B H 0.1005 0.1172 -0.0971 0.119 Uiso 1 1 calc R
H26C H 0.1605 0.1733 -0.1638 0.119 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Br Br -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Mg Mg 0.0486 0.0363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 '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_3
O Mg N2 117.09(10) .
O Mg N1 98.28(9) .
N2 Mg N1 64.76(8) .
O Mg Br 118.43(7) .
N2 Mg Br 123.66(8) .
N1 Mg Br 98.32(7) .
O Mg Br 91.30(7) 3_655
N2 Mg Br 101.13(7) 3_655
N1 Mg Br 165.47(7) 3_655
Br Mg Br 86.55(3) 3_655
Mg Br Mg 93.45(3) 3_655
C23 O C25 114.7(2) .
C23 O Mg 118.20(18) .
C25 O Mg 127.06(19) .
C1 N1 C11 122.8(2) .
C1 N1 Mg 88.61(16) .
C11 N1 Mg 148.02(17) .
C1 N2 C17 122.2(2) .
C1 N2 Mg 91.52(16) .
C17 N2 Mg 143.14(17) .
N1 C1 N2 113.7(2) .
N1 C1 C2 123.7(2) .
N2 C1 C2 122.5(2) .
C3 C2 C7 120.5(2) .
C3 C2 C1 119.0(2) .
C7 C2 C1 120.5(2) .
C4 C3 C2 118.3(3) .
C4 C3 C8 119.1(3) .
C2 C3 C8 122.6(2) .
C5 C4 C3 122.5(3) .
C5 C4 H4 118.8 .
C3 C4 H4 118.8 .
C6 C5 C4 118.0(3) .
C6 C5 C9 121.0(3) .
C4 C5 C9 121.0(3) .
C5 C6 C7 121.6(3) .
C5 C6 H6 119.2 .
C7 C6 H6 119.2 .
C6 C7 C2 119.2(3) .
C6 C7 C10 120.2(2) .
C2 C7 C10 120.6(2) .
C3 C8 H8A 109.5 .
C3 C8 H8B 109.5 .
H8A C8 H8B 109.5 .
C3 C8 H8C 109.5 .
H8A C8 H8C 109.5 .
H8B C8 H8C 109.5 .
C5 C9 H9A 109.5 .
C5 C9 H9B 109.5 .
H9A C9 H9B 109.5 .
C5 C9 H9C 109.5 .
H9A C9 H9C 109.5 .
H9B C9 H9C 109.5 .
C5 C9 H9D 109.5 .
H9A C9 H9D 141.1 .
H9B C9 H9D 56.3 .
H9C C9 H9D 56.3 .
C5 C9 H9E 109.5 .
H9A C9 H9E 56.3 .
H9B C9 H9E 141.1 .
H9C C9 H9E 56.3 .
H9D C9 H9E 109.5 .
C5 C9 H9F 109.5 .
H9A C9 H9F 56.3 .
H9B C9 H9F 56.3 .
H9C C9 H9F 141.1 .
H9D C9 H9F 109.5 .
H9E C9 H9F 109.5 .
C7 C10 H10A 109.5 .
C7 C10 H10B 109.5 .
H10A C10 H10B 109.5 .
C7 C10 H10C 109.5 .
H10A C10 H10C 109.5 .
H10B C10 H10C 109.5 .
N1 C11 C16 109.7(2) .
N1 C11 C12 110.8(2) .
C16 C11 C12 108.7(2) .
N1 C11 H11 109.2 .
C16 C11 H11 109.2 .
C12 C11 H11 109.2 .
C11 C12 C13 112.0(3) .
C11 C12 H12A 109.2 .
C13 C12 H12A 109.2 .
C11 C12 H12B 109.2 .
C13 C12 H12B 109.2 .
H12A C12 H12B 107.9 .
C14 C13 C12 111.1(3) .
C14 C13 H13A 109.4 .
C12 C13 H13A 109.4 .
C14 C13 H13B 109.4 .
C12 C13 H13B 109.4 .
H13A C13 H13B 108 .
C13 C14 C15 111.6(3) .
C13 C14 H14A 109.3 .
C15 C14 H14A 109.3 .
C13 C14 H14B 109.3 .
C15 C14 H14B 109.3 .
H14A C14 H14B 108 .
C14 C15 C16 111.4(3) .
C14 C15 H15A 109.3 .
C16 C15 H15A 109.3 .
C14 C15 H15B 109.3 .
C16 C15 H15B 109.3 .
H15A C15 H15B 108 .
C11 C16 C15 112.4(3) .
C11 C16 H16A 109.1 .
C15 C16 H16A 109.1 .
C11 C16 H16B 109.1 .
C15 C16 H16B 109.1 .
H16A C16 H16B 107.8 .
N2 C17 C22 109.7(2) .
N2 C17 C18 110.3(2) .
C22 C17 C18 109.6(2) .
N2 C17 H17 109.1 .
C22 C17 H17 109.1 .
C18 C17 H17 109.1 .
C19 C18 C17 112.6(3) .
C19 C18 H18A 109.1 .
C17 C18 H18A 109.1 .
C19 C18 H18B 109.1 .
C17 C18 H18B 109.1 .
H18A C18 H18B 107.8 .
C20 C19 C18 110.4(3) .
C20 C19 H19A 109.6 .
C18 C19 H19A 109.6 .
C20 C19 H19B 109.6 .
C18 C19 H19B 109.6 .
H19A C19 H19B 108.1 .
C21 C20 C19 110.9(3) .
C21 C20 H20A 109.5 .
C19 C20 H20A 109.5 .
C21 C20 H20B 109.5 .
C19 C20 H20B 109.5 .
H20A C20 H20B 108.1 .
C20 C21 C22 111.4(3) .
C20 C21 H21A 109.3 .
C22 C21 H21A 109.3 .
C20 C21 H21B 109.3 .
C22 C21 H21B 109.3 .
H21A C21 H21B 108 .
C17 C22 C21 112.1(3) .
C17 C22 H22A 109.2 .
C21 C22 H22A 109.2 .
C17 C22 H22B 109.2 .
C21 C22 H22B 109.2 .
H22A C22 H22B 107.9 .
O C23 C24 112.3(3) .
O C23 H23A 109.1 .
C24 C23 H23A 109.1 .
O C23 H23B 109.1 .
C24 C23 H23B 109.1 .
H23A C23 H23B 107.9 .
C23 C24 H24A 109.5 .
C23 C24 H24B 109.5 .
H24A C24 H24B 109.5 .
C23 C24 H24C 109.5 .
H24A C24 H24C 109.5 .
H24B C24 H24C 109.5 .
O C25 C26 110.9(3) .
O C25 H25A 109.5 .
C26 C25 H25A 109.5 .
O C25 H25B 109.5 .
C26 C25 H25B 109.5 .
H25A C25 H25B 108.1 .
C25 C26 H26A 109.5 .
C25 C26 H26B 109.5 .
H26A C26 H26B 109.5 .
C25 C26 H26C 109.5 .
H26A C26 H26C 109.5 .
H26B C26 H26C 109.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mg O 2.040(2) .
Mg N2 2.050(2) .
Mg N1 2.123(2) .
Mg Br 2.5532(9) .
Mg Br 2.6789(9) 3_655
Br Mg 2.6789(9) 3_655
O C23 1.445(3) .
O C25 1.451(3) .
N1 C1 1.331(3) .
N1 C11 1.459(3) .
N2 C1 1.338(3) .
N2 C17 1.459(3) .
C1 C2 1.503(4) .
C2 C3 1.396(4) .
C2 C7 1.396(4) .
C3 C4 1.390(4) .
C3 C8 1.513(4) .
C4 C5 1.385(4) .
C4 H4 0.95 .
C5 C6 1.384(4) .
C5 C9 1.513(4) .
C6 C7 1.391(4) .
C6 H6 0.95 .
C7 C10 1.507(4) .
C8 H8A 0.98 .
C8 H8B 0.98 .
C8 H8C 0.98 .
C9 H9A 0.98 .
C9 H9B 0.98 .
C9 H9C 0.98 .
C9 H9D 0.98 .
C9 H9E 0.98 .
C9 H9F 0.98 .
C10 H10A 0.98 .
C10 H10B 0.98 .
C10 H10C 0.98 .
C11 C16 1.524(4) .
C11 C12 1.524(4) .
C11 H11 1 .
C12 C13 1.533(4) .
C12 H12A 0.99 .
C12 H12B 0.99 .
C13 C14 1.506(4) .
C13 H13A 0.99 .
C13 H13B 0.99 .
C14 C15 1.511(4) .
C14 H14A 0.99 .
C14 H14B 0.99 .
C15 C16 1.532(4) .
C15 H15A 0.99 .
C15 H15B 0.99 .
C16 H16A 0.99 .
C16 H16B 0.99 .
C17 C22 1.521(4) .
C17 C18 1.528(4) .
C17 H17 1 .
C18 C19 1.524(4) .
C18 H18A 0.99 .
C18 H18B 0.99 .
C19 C20 1.510(5) .
C19 H19A 0.99 .
C19 H19B 0.99 .
C20 C21 1.507(5) .
C20 H20A 0.99 .
C20 H20B 0.99 .
C21 C22 1.522(4) .
C21 H21A 0.99 .
C21 H21B 0.99 .
C22 H22A 0.99 .
C22 H22B 0.99 .
C23 C24 1.495(5) .
C23 H23A 0.99 .
C23 H23B 0.99 .
C24 H24A 0.98 .
C24 H24B 0.98 .
C24 H24C 0.98 .
C25 C26 1.500(5) .
C25 H25A 0.99 .
C25 H25B 0.99 .
C26 H26A 0.98 .
C26 H26B 0.98 .
C26 H26C 0.98 .
