#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:05:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179740 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/36/7003632.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_7003632
loop_
_publ_author_name
'Hwang, Kyu Young'
'Lee, Min Hyung'
'Jang, Hyosook'
'Sung, Yeunjoo'
'Lee, Jong Soon'
'Kim, Se Hun'
'Do, Youngkyu'
_publ_section_title
;
 Aluminium--salen luminophores as new hole-blocking materials for
 phosphorescent OLEDs
;
_journal_issue                   14
_journal_name_full               'Dalton Transactions'
_journal_page_first              1818
_journal_page_last               1820
_journal_paper_doi               10.1039/b717754b
_journal_year                    2008
_chemical_formula_sum            'C44 H55 Al N2 O3'
_chemical_formula_weight         686.88
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 114.585(12)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.263(8)
_cell_length_b                   11.792(4)
_cell_length_c                   18.060(9)
_cell_measurement_reflns_used    8569
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.92
_cell_measurement_theta_min      2.05
_cell_volume                     3924(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    ORTEP
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.912
_diffrn_measured_fraction_theta_max 0.912
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0482
_diffrn_reflns_av_sigmaI/netI    0.0710
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            22087
_diffrn_reflns_theta_full        27.92
_diffrn_reflns_theta_max         27.92
_diffrn_reflns_theta_min         2.05
_exptl_absorpt_coefficient_mu    0.092
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.163
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rectangle
_exptl_crystal_F_000             1480
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.316
_refine_diff_density_min         -0.257
_refine_diff_density_rms         0.040
_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     463
_refine_ls_number_reflns         8569
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.1179
_refine_ls_R_factor_gt           0.0522
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0568P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1137
_refine_ls_wR_factor_ref         0.1356
_reflns_number_gt                4587
_reflns_number_total             8569
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b717754b.txt
_cod_data_source_block           syj04
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7003632
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Al1 Al 0.29832(3) 0.96158(5) 0.30558(4) 0.03898(18) Uani 1 1 d . . .
C1 C 0.25395(10) 0.93541(17) 0.13248(13) 0.0385(5) Uani 1 1 d . . .
O1 O 0.25033(7) 0.91634(12) 0.20222(9) 0.0471(4) Uani 1 1 d . . .
C2 C 0.30391(10) 1.01454(17) 0.12648(13) 0.0387(5) Uani 1 1 d . . .
C3 C 0.30304(11) 1.04294(18) 0.05048(13) 0.0443(5) Uani 1 1 d . . .
H3 H 0.3366 1.0954 0.0485 0.053 Uiso 1 1 calc R . .
C4 C 0.25446(11) 0.99598(18) -0.02072(13) 0.0424(5) Uani 1 1 d . . .
C5 C 0.20882(11) 0.91113(18) -0.01230(14) 0.0462(6) Uani 1 1 d . . .
H5 H 0.1769 0.8753 -0.0595 0.055 Uiso 1 1 calc R . .
C6 C 0.20771(11) 0.87718(17) 0.06011(13) 0.0421(5) Uani 1 1 d . . .
C7 C 0.24640(12) 1.03429(19) -0.10532(14) 0.0484(6) Uani 1 1 d . . .
C8 C 0.31519(15) 1.0921(3) -0.10080(18) 0.0938(10) Uani 1 1 d . . .
H8A H 0.3241 1.1591 -0.0679 0.141 Uiso 1 1 calc R . .
H8B H 0.3094 1.1124 -0.1547 0.141 Uiso 1 1 calc R . .
H8C H 0.3555 1.0411 -0.0770 0.141 Uiso 1 1 calc R . .
C9 C 0.22899(16) 0.9356(2) -0.16582(15) 0.0746(8) Uani 1 1 d . . .
H9A H 0.2246 0.9636 -0.2176 0.112 Uiso 1 1 calc R . .
H9B H 0.1841 0.9009 -0.1721 0.112 Uiso 1 1 calc R . .
H9C H 0.2673 0.8805 -0.1457 0.112 Uiso 1 1 calc R . .
C10 C 0.18349(14) 1.1192(2) -0.13893(15) 0.0684(7) Uani 1 1 d . . .
H10A H 0.1947 1.1845 -0.1041 0.103 Uiso 1 1 calc R . .
H10B H 0.1400 1.0843 -0.1410 0.103 Uiso 1 1 calc R . .
H10C H 0.1764 1.1421 -0.1927 0.103 Uiso 1 1 calc R . .
C11 C 0.16021(13) 0.7782(2) 0.06474(15) 0.0625(7) Uani 1 1 d . . .
C12 C 0.20883(19) 0.6878(2) 0.12362(19) 0.1088(13) Uani 1 1 d . . .
H12A H 0.2406 0.6560 0.1018 0.163 Uiso 1 1 calc R . .
H12B H 0.1791 0.6290 0.1304 0.163 Uiso 1 1 calc R . .
H12C H 0.2372 0.7221 0.1754 0.163 Uiso 1 1 calc R . .
C13 C 0.10362(16) 0.8224(3) 0.0930(2) 0.1140(13) Uani 1 1 d . . .
H13A H 0.1276 0.8584 0.1451 0.171 Uiso 1 1 calc R . .
H13B H 0.0749 0.7602 0.0975 0.171 Uiso 1 1 calc R . .
H13C H 0.0727 0.8762 0.0542 0.171 Uiso 1 1 calc R . .
C14 C 0.11954(15) 0.7208(2) -0.01841(16) 0.0810(9) Uani 1 1 d . . .
H14A H 0.0856 0.7734 -0.0555 0.121 Uiso 1 1 calc R . .
H14B H 0.0939 0.6557 -0.0121 0.121 Uiso 1 1 calc R . .
H14C H 0.1537 0.6974 -0.0396 0.121 Uiso 1 1 calc R . .
C15 C 0.35512(11) 1.06959(17) 0.19776(14) 0.0436(5) Uani 1 1 d . . .
H15 H 0.3884 1.1177 0.1905 0.052 Uiso 1 1 calc R . .
N1 N 0.36013(8) 1.05964(14) 0.27117(11) 0.0398(4) Uani 1 1 d . . .
C16 C 0.41629(11) 1.12743(19) 0.33533(13) 0.0478(6) Uani 1 1 d . . .
H16A H 0.4001 1.2052 0.3338 0.057 Uiso 1 1 calc R . .
H16B H 0.4609 1.1274 0.3277 0.057 Uiso 1 1 calc R . .
C17 C 0.42841(11) 1.07278(19) 0.41585(13) 0.0485(6) Uani 1 1 d . . .
H17A H 0.4572 1.0043 0.4245 0.058 Uiso 1 1 calc R . .
H17B H 0.4531 1.1245 0.4607 0.058 Uiso 1 1 calc R . .
N2 N 0.35572(8) 1.04662(14) 0.40896(11) 0.0408(4) Uani 1 1 d . . .
C18 C 0.33308(11) 1.08376(17) 0.46114(13) 0.0432(5) Uani 1 1 d . . .
H18 H 0.3670 1.1168 0.5084 0.052 Uiso 1 1 calc R . .
C19 C 0.20332(11) 1.04053(16) 0.37812(13) 0.0393(5) Uani 1 1 d . . .
O2 O 0.21858(7) 0.99582(12) 0.31890(9) 0.0460(4) Uani 1 1 d . . .
C20 C 0.25932(11) 1.07791(17) 0.45176(13) 0.0415(5) Uani 1 1 d . . .
C21 C 0.24323(12) 1.12302(17) 0.51508(13) 0.0469(6) Uani 1 1 d . . .
H21 H 0.2811 1.1451 0.5636 0.056 Uiso 1 1 calc R . .
C22 C 0.17296(12) 1.13488(17) 0.50644(14) 0.0448(5) Uani 1 1 d . . .
C23 C 0.11876(12) 1.10082(18) 0.43134(14) 0.0472(6) Uani 1 1 d . . .
H23 H 0.0709 1.1094 0.4242 0.057 Uiso 1 1 calc R . .
C24 C 0.13026(11) 1.05541(17) 0.36663(13) 0.0413(5) Uani 1 1 d . . .
C25 C 0.15215(13) 1.18973(19) 0.57036(15) 0.0537(6) Uani 1 1 d . . .
C26 C 0.21774(15) 1.2042(2) 0.65217(16) 0.0777(8) Uani 1 1 d . . .
H26A H 0.2383 1.1312 0.6724 0.117 Uiso 1 1 calc R . .
H26B H 0.2026 1.2395 0.6904 0.117 Uiso 1 1 calc R . .
H26C H 0.2534 1.2509 0.6450 0.117 Uiso 1 1 calc R . .
C27 C 0.09490(15) 1.1190(2) 0.58463(17) 0.0765(8) Uani 1 1 d . . .
H27A H 0.0526 1.1111 0.5343 0.115 Uiso 1 1 calc R . .
H27B H 0.0820 1.1563 0.6240 0.115 Uiso 1 1 calc R . .
H27C H 0.1144 1.0453 0.6045 0.115 Uiso 1 1 calc R . .
C28 C 0.12074(15) 1.3083(2) 0.53898(17) 0.0749(8) Uani 1 1 d . . .
H28A H 0.1571 1.3538 0.5321 0.112 Uiso 1 1 calc R . .
H28B H 0.1062 1.3438 0.5776 0.112 Uiso 1 1 calc R . .
H28C H 0.0794 1.3009 0.4877 0.112 Uiso 1 1 calc R . .
C29 C 0.06637(11) 1.02566(19) 0.28530(14) 0.0493(6) Uani 1 1 d . . .
C30 C 0.07333(13) 1.0891(2) 0.21510(15) 0.0699(8) Uani 1 1 d . . .
H30A H 0.0744 1.1693 0.2248 0.105 Uiso 1 1 calc R . .
H30B H 0.0326 1.0712 0.1651 0.105 Uiso 1 1 calc R . .
H30C H 0.1174 1.0667 0.2113 0.105 Uiso 1 1 calc R . .
C31 C 0.06497(14) 0.8974(2) 0.27024(16) 0.0667(7) Uani 1 1 d . . .
H31A H 0.1115 0.8734 0.2739 0.100 Uiso 1 1 calc R . .
H31B H 0.0284 0.8803 0.2170 0.100 Uiso 1 1 calc R . .
H31C H 0.0541 0.8582 0.3104 0.100 Uiso 1 1 calc R . .
C32 C -0.00710(12) 1.0597(3) 0.28525(17) 0.0829(9) Uani 1 1 d . . .
H32A H -0.0156 1.0156 0.3251 0.124 Uiso 1 1 calc R . .
H32B H -0.0452 1.0460 0.2323 0.124 Uiso 1 1 calc R . .
H32C H -0.0062 1.1388 0.2983 0.124 Uiso 1 1 calc R . .
O3 O 0.34199(8) 0.83204(12) 0.34511(9) 0.0525(4) Uani 1 1 d . . .
C33 C 0.37478(11) 0.78431(17) 0.41880(14) 0.0439(5) Uani 1 1 d . . .
C34 C 0.43763(12) 0.72136(18) 0.43747(14) 0.0484(6) Uani 1 1 d . . .
H34 H 0.4568 0.7148 0.3990 0.058 Uiso 1 1 calc R . .
C35 C 0.47227(11) 0.66819(18) 0.51208(14) 0.0469(6) Uani 1 1 d . . .
H35 H 0.5142 0.6266 0.5223 0.056 Uiso 1 1 calc R . .
C36 C 0.44641(11) 0.67488(17) 0.57245(14) 0.0419(5) Uani 1 1 d . . .
C37 C 0.38278(12) 0.73702(18) 0.55264(14) 0.0494(6) Uani 1 1 d . . .
H37 H 0.3631 0.7425 0.5907 0.059 Uiso 1 1 calc R . .
C38 C 0.34781(12) 0.79083(18) 0.47823(15) 0.0494(6) Uani 1 1 d . . .
H38 H 0.3057 0.8319 0.4677 0.059 Uiso 1 1 calc R . .
C39 C 0.48547(11) 0.61973(18) 0.65332(14) 0.0445(5) Uani 1 1 d . . .
C40 C 0.53225(13) 0.5292(2) 0.66332(15) 0.0580(7) Uani 1 1 d . . .
H40 H 0.5369 0.4998 0.6180 0.070 Uiso 1 1 calc R . .
C41 C 0.57219(14) 0.4816(2) 0.73909(18) 0.0686(8) Uani 1 1 d . . .
H41 H 0.6039 0.4222 0.7438 0.082 Uiso 1 1 calc R . .
C42 C 0.56561(14) 0.5209(2) 0.80702(17) 0.0699(8) Uani 1 1 d . . .
H42 H 0.5925 0.4888 0.8578 0.084 Uiso 1 1 calc R . .
C43 C 0.51848(15) 0.6084(2) 0.79849(17) 0.0717(8) Uani 1 1 d . . .
H43 H 0.5130 0.6357 0.8439 0.086 Uiso 1 1 calc R . .
C44 C 0.47891(13) 0.6569(2) 0.72274(16) 0.0594(7) Uani 1 1 d . . .
H44 H 0.4471 0.7159 0.7185 0.071 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 0.0000 0.0000 '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 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Al Al 0.0645 0.0514 '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
O3 Al1 O2 118.31(8) . . ?
O3 Al1 O1 97.33(8) . . ?
O2 Al1 O1 94.53(7) . . ?
O3 Al1 N1 110.86(8) . . ?
O2 Al1 N1 129.65(8) . . ?
O1 Al1 N1 89.26(8) . . ?
O3 Al1 N2 93.28(8) . . ?
O2 Al1 N2 88.18(7) . . ?
O1 Al1 N2 166.18(8) . . ?
N1 Al1 N2 78.66(8) . . ?
O1 C1 C2 121.00(18) . . ?
O1 C1 C6 121.27(19) . . ?
C2 C1 C6 117.7(2) . . ?
C1 O1 Al1 136.66(13) . . ?
C3 C2 C1 120.91(19) . . ?
C3 C2 C15 118.7(2) . . ?
C1 C2 C15 120.4(2) . . ?
C4 C3 C2 122.2(2) . . ?
C3 C4 C5 115.6(2) . . ?
C3 C4 C7 123.5(2) . . ?
C5 C4 C7 120.80(19) . . ?
C6 C5 C4 125.3(2) . . ?
C5 C6 C1 117.8(2) . . ?
C5 C6 C11 122.04(19) . . ?
C1 C6 C11 120.2(2) . . ?
C8 C7 C9 108.2(2) . . ?
C8 C7 C10 108.7(2) . . ?
C9 C7 C10 107.87(19) . . ?
C8 C7 C4 111.24(19) . . ?
C9 C7 C4 112.53(19) . . ?
C10 C7 C4 108.22(18) . . ?
C13 C11 C6 109.5(2) . . ?
C13 C11 C14 107.7(2) . . ?
C6 C11 C14 112.0(2) . . ?
C13 C11 C12 111.1(3) . . ?
C6 C11 C12 109.2(2) . . ?
C14 C11 C12 107.4(2) . . ?
N1 C15 C2 126.9(2) . . ?
C15 N1 C16 117.51(18) . . ?
C15 N1 Al1 125.71(14) . . ?
C16 N1 Al1 116.78(14) . . ?
N1 C16 C17 106.70(17) . . ?
N2 C17 C16 104.69(16) . . ?
C18 N2 C17 121.43(18) . . ?
C18 N2 Al1 127.34(15) . . ?
C17 N2 Al1 111.00(14) . . ?
N2 C18 C20 124.73(19) . . ?
O2 C19 C20 120.87(19) . . ?
O2 C19 C24 120.39(19) . . ?
C20 C19 C24 118.7(2) . . ?
C19 O2 Al1 136.31(13) . . ?
C19 C20 C21 120.8(2) . . ?
C19 C20 C18 121.0(2) . . ?
C21 C20 C18 117.72(19) . . ?
C22 C21 C20 121.5(2) . . ?
C21 C22 C23 116.0(2) . . ?
C21 C22 C25 123.8(2) . . ?
C23 C22 C25 120.0(2) . . ?
C24 C23 C22 125.8(2) . . ?
C23 C24 C19 117.0(2) . . ?
C23 C24 C29 121.38(19) . . ?
C19 C24 C29 121.56(19) . . ?
C22 C25 C26 112.0(2) . . ?
C22 C25 C27 111.23(19) . . ?
C26 C25 C27 108.2(2) . . ?
C22 C25 C28 107.90(19) . . ?
C26 C25 C28 108.3(2) . . ?
C27 C25 C28 109.2(2) . . ?
C30 C29 C31 109.7(2) . . ?
C30 C29 C24 110.38(18) . . ?
C31 C29 C24 109.85(19) . . ?
C30 C29 C32 107.1(2) . . ?
C31 C29 C32 108.1(2) . . ?
C24 C29 C32 111.7(2) . . ?
C33 O3 Al1 136.49(14) . . ?
O3 C33 C34 119.4(2) . . ?
O3 C33 C38 123.4(2) . . ?
C34 C33 C38 117.1(2) . . ?
C35 C34 C33 121.4(2) . . ?
C34 C35 C36 122.2(2) . . ?
C37 C36 C35 115.9(2) . . ?
C37 C36 C39 122.6(2) . . ?
C35 C36 C39 121.5(2) . . ?
C38 C37 C36 122.3(2) . . ?
C37 C38 C33 121.0(2) . . ?
C44 C39 C40 116.3(2) . . ?
C44 C39 C36 122.5(2) . . ?
C40 C39 C36 121.2(2) . . ?
C41 C40 C39 121.8(2) . . ?
C42 C41 C40 120.9(3) . . ?
C41 C42 C43 118.5(3) . . ?
C42 C43 C44 120.7(3) . . ?
C39 C44 C43 121.9(2) . . ?
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
Al1 O3 1.7609(16) . ?
Al1 O2 1.7763(16) . ?
Al1 O1 1.7900(17) . ?
Al1 N1 1.9848(19) . ?
Al1 N2 2.0093(19) . ?
C1 O1 1.311(2) . ?
C1 C2 1.414(3) . ?
C1 C6 1.428(3) . ?
C2 C3 1.406(3) . ?
C2 C15 1.430(3) . ?
C3 C4 1.370(3) . ?
C4 C5 1.413(3) . ?
C4 C7 1.535(3) . ?
C5 C6 1.377(3) . ?
C6 C11 1.537(3) . ?
C7 C8 1.523(3) . ?
C7 C9 1.534(3) . ?
C7 C10 1.534(3) . ?
C11 C13 1.527(4) . ?
C11 C14 1.537(3) . ?
C11 C12 1.538(4) . ?
C15 N1 1.292(3) . ?
N1 C16 1.476(2) . ?
C16 C17 1.514(3) . ?
C17 N2 1.459(3) . ?
N2 C18 1.284(3) . ?
C18 C20 1.434(3) . ?
C19 O2 1.339(2) . ?
C19 C20 1.412(3) . ?
C19 C24 1.418(3) . ?
C20 C21 1.417(3) . ?
C21 C22 1.374(3) . ?
C22 C23 1.403(3) . ?
C22 C25 1.528(3) . ?
C23 C24 1.390(3) . ?
C24 C29 1.541(3) . ?
C25 C26 1.531(3) . ?
C25 C27 1.535(3) . ?
C25 C28 1.543(3) . ?
C29 C30 1.528(3) . ?
C29 C31 1.535(3) . ?
C29 C32 1.542(3) . ?
O3 C33 1.339(3) . ?
C33 C34 1.389(3) . ?
C33 C38 1.394(3) . ?
C34 C35 1.383(3) . ?
C35 C36 1.394(3) . ?
C36 C37 1.394(3) . ?
C36 C39 1.490(3) . ?
C37 C38 1.385(3) . ?
C39 C44 1.386(3) . ?
C39 C40 1.388(3) . ?
C40 C41 1.386(3) . ?
C41 C42 1.369(4) . ?
C42 C43 1.371(3) . ?
C43 C44 1.388(3) . ?
