#------------------------------------------------------------------------------
#$Date: 2016-03-21 04:36:15 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178474 $
#$URL: svn://www.crystallography.net/cod/cif/4/02/95/4029576.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_4029576
loop_
_publ_author_name
'Berni, Emanuela'
'Dolain, Christel'
'Kauffmann, Brice'
'Léger, Jean-Michel'
'Zhan, Chuanlang'
'Huc, Ivan'
_publ_section_title
;
 Expanding the registry of aromatic amide foldamers: folding,
 photochemistry and assembly using diaza-anthracene units.
;
_journal_issue                   7
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              2687
_journal_page_last               2694
_journal_paper_doi               10.1021/jo702602w
_journal_volume                  73
_journal_year                    2008
_chemical_formula_sum            'C35 H50 N2 O6'
_chemical_formula_weight         594.77
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.430(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.722(4)
_cell_length_b                   17.796(3)
_cell_length_c                   15.650(2)
_cell_measurement_temperature    296(2)
_cell_volume                     3380.5(13)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0256
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            5737
_diffrn_reflns_theta_full        65.10
_diffrn_reflns_theta_max         65.10
_diffrn_reflns_theta_min         3.86
_exptl_absorpt_coefficient_mu    0.633
_exptl_absorpt_correction_T_max  0.9394
_exptl_absorpt_correction_T_min  0.7426
_exptl_crystal_density_diffrn    1.169
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1288
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.476
_refine_diff_density_min         -0.350
_refine_diff_density_rms         0.055
_refine_ls_extinction_coef       0.0053(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         5737
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0868
_refine_ls_R_factor_gt           0.0601
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0969P)²+1.5398P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1569
_refine_ls_wR_factor_ref         0.1799
_reflns_number_gt                4080
_reflns_number_total             5737
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            jo702602w-file007.cif
_cod_data_source_block           ih2159
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               4029576
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
C1 C 0.57464(17) 0.09167(12) 0.49381(14) 0.0336(5) Uani 1 1 d .
C2 C 0.66789(18) 0.13664(13) 0.50582(15) 0.0385(5) Uani 1 1 d .
C3 C 0.68898(19) 0.16485(14) 0.43032(16) 0.0448(6) Uani 1 1 d .
H3 H 0.7497 0.1955 0.4354 0.054 Uiso 1 1 calc R
C4 C 0.61850(19) 0.14670(13) 0.34763(16) 0.0412(6) Uani 1 1 d .
N5 N 0.52988(15) 0.10184(11) 0.33339(12) 0.0380(4) Uani 1 1 d .
C6 C 0.51046(17) 0.07489(12) 0.40711(15) 0.0341(5) Uani 1 1 d .
C7 C 0.41291(16) 0.02199(12) 0.39695(14) 0.0332(5) Uani 1 1 d .
C8 C 0.35289(17) 0.05017(12) 0.46189(15) 0.0343(5) Uani 1 1 d .
C9 C 0.41707(17) 0.06829(12) 0.54833(14) 0.0331(5) Uani 1 1 d .
C10 C 0.54103(16) 0.06178(12) 0.57202(14) 0.0334(5) Uani 1 1 d .
H10 H 0.5726 0.0954 0.6228 0.040 Uiso 1 1 calc R
N11 N 0.24280(14) 0.05362(11) 0.43365(12) 0.0370(4) Uani 1 1 d .
C12 C 0.19485(17) 0.07668(13) 0.49491(16) 0.0396(5) Uani 1 1 d .
C13 C 0.25020(19) 0.09643(15) 0.58179(16) 0.0445(6) Uani 1 1 d .
H13 H 0.2120 0.1117 0.6210 0.053 Uiso 1 1 calc R
C14 C 0.36478(18) 0.09302(13) 0.60956(15) 0.0385(5) Uani 1 1 d .
O15 O 0.73007(13) 0.14694(10) 0.59160(11) 0.0476(4) Uani 1 1 d .
C16 C 0.8123(2) 0.20624(16) 0.61436(19) 0.0538(7) Uani 1 1 d .
H16 H 0.8595 0.2026 0.5752 0.065 Uiso 1 1 calc R
C17 C 0.8795(2) 0.18898(19) 0.7091(2) 0.0646(8) Uani 1 1 d .
H17A H 0.8300 0.1818 0.7450 0.078 Uiso 1 1 calc R
H17B H 0.9259 0.2319 0.7331 0.078 Uiso 1 1 calc R
C18 C 0.9520(3) 0.1196(2) 0.7179(2) 0.0793(10) Uani 1 1 d .
H18A H 1.0047 0.1279 0.6852 0.095 Uiso 1 1 calc R
H18B H 0.9063 0.0772 0.6907 0.095 Uiso 1 1 calc R
C19 C 1.0149(4) 0.0999(3) 0.8156(3) 0.1169(16) Uani 1 1 d .
H19A H 1.0727 0.0643 0.8157 0.140 Uiso 1 1 calc R
H19B H 1.0500 0.1451 0.8456 0.140 Uiso 1 1 calc R
C20 C 0.9478(6) 0.0682(4) 0.8665(4) 0.152(2) Uani 1 1 d .
H20A H 0.9937 0.0552 0.9254 0.228 Uiso 1 1 calc R
H20B H 0.9113 0.0240 0.8368 0.228 Uiso 1 1 calc R
H20C H 0.8938 0.1044 0.8711 0.228 Uiso 1 1 calc R
C21 C 0.7562(3) 0.28182(18) 0.6013(2) 0.0727(9) Uani 1 1 d .
H21A H 0.7206 0.2893 0.5378 0.087 Uiso 1 1 calc R
H21B H 0.8121 0.3204 0.6210 0.087 Uiso 1 1 calc R
C22 C 0.6700(4) 0.2926(2) 0.6512(3) 0.1128(15) Uani 1 1 d .
H22A H 0.6296 0.2460 0.6480 0.135 Uiso 1 1 calc R
H22B H 0.7083 0.3022 0.7138 0.135 Uiso 1 1 calc R
C23 C 0.5905(5) 0.3536(4) 0.6174(5) 0.158(2) Uani 1 1 d .
H23A H 0.6305 0.4008 0.6281 0.189 Uiso 1 1 calc R
H23B H 0.5603 0.3477 0.5531 0.189 Uiso 1 1 calc R
C24 C 0.5012(5) 0.3597(4) 0.6536(4) 0.162(3) Uani 1 1 d .
H24A H 0.4571 0.4026 0.6282 0.243 Uiso 1 1 calc R
H24B H 0.5290 0.3655 0.7174 0.243 Uiso 1 1 calc R
H24C H 0.4568 0.3151 0.6397 0.243 Uiso 1 1 calc R
C25 C 0.6408(2) 0.18146(15) 0.26705(17) 0.0486(6) Uani 1 1 d .
O26 O 0.71560(18) 0.22374(16) 0.27272(15) 0.0897(8) Uani 1 1 d .
O27 O 0.56939(16) 0.16197(11) 0.18982(12) 0.0588(5) Uani 1 1 d .
C28 C 0.5859(3) 0.1969(2) 0.11153(19) 0.0709(9) Uani 1 1 d .
H28A H 0.5287 0.1812 0.0592 0.106 Uiso 1 1 calc R
H28B H 0.6562 0.1822 0.1061 0.106 Uiso 1 1 calc R
H28C H 0.5836 0.2506 0.1172 0.106 Uiso 1 1 calc R
C29 C 0.33805(19) 0.01835(15) 0.30075(15) 0.0436(6) Uani 1 1 d .
H29A H 0.2781 -0.0154 0.2973 0.065 Uiso 1 1 calc R
H29B H 0.3793 0.0006 0.2625 0.065 Uiso 1 1 calc R
H29C H 0.3095 0.0675 0.2818 0.065 Uiso 1 1 calc R
C30 C 0.07106(19) 0.08349(15) 0.46495(17) 0.0477(6) Uani 1 1 d .
O31 O 0.02054(15) 0.10750(16) 0.51243(14) 0.0831(8) Uani 1 1 d .
O32 O 0.02543(13) 0.06195(12) 0.38195(13) 0.0593(5) Uani 1 1 d .
C33 C -0.0928(2) 0.0686(2) 0.3489(2) 0.0795(10) Uani 1 1 d .
H33A H -0.1179 0.0525 0.2876 0.119 Uiso 1 1 calc R
H33B H -0.1136 0.1200 0.3528 0.119 Uiso 1 1 calc R
H33C H -0.1256 0.0377 0.3843 0.119 Uiso 1 1 calc R
O34 O 0.43189(13) 0.11355(11) 0.69088(11) 0.0531(5) Uani 1 1 d .
C35 C 0.3883(2) 0.13212(16) 0.76450(16) 0.0497(6) Uani 1 1 d .
H35 H 0.3134 0.1520 0.7397 0.060 Uiso 1 1 calc R
C36 C 0.4617(2) 0.19374(16) 0.81668(18) 0.0545(7) Uani 1 1 d .
H36A H 0.4552 0.2369 0.7775 0.065 Uiso 1 1 calc R
H36B H 0.4338 0.2087 0.8654 0.065 Uiso 1 1 calc R
C37 C 0.5823(2) 0.17535(18) 0.8555(2) 0.0618(8) Uani 1 1 d .
H37A H 0.6110 0.1587 0.8079 0.074 Uiso 1 1 calc R
H37B H 0.5906 0.1344 0.8979 0.074 Uiso 1 1 calc R
C38 C 0.6487(3) 0.24233(18) 0.9024(2) 0.0661(8) Uani 1 1 d .
H38A H 0.6386 0.2833 0.8599 0.079 Uiso 1 1 calc R
H38B H 0.6195 0.2585 0.9500 0.079 Uiso 1 1 calc R
C39 C 0.7698(3) 0.2277(3) 0.9416(3) 0.0984(13) Uani 1 1 d .
H39A H 0.8053 0.2719 0.9721 0.148 Uiso 1 1 calc R
H39B H 0.8007 0.2151 0.8945 0.148 Uiso 1 1 calc R
H39C H 0.7809 0.1867 0.9832 0.148 Uiso 1 1 calc R
C40 C 0.3832(2) 0.06059(17) 0.81447(19) 0.0563(7) Uani 1 1 d .
H40A H 0.4560 0.0382 0.8338 0.068 Uiso 1 1 calc R
H40B H 0.3344 0.0255 0.7739 0.068 Uiso 1 1 calc R
C41 C 0.3428(3) 0.07198(18) 0.8960(2) 0.0645(8) Uani 1 1 d .
H41A H 0.3975 0.1008 0.9404 0.077 Uiso 1 1 calc R
H41B H 0.2755 0.1014 0.8782 0.077 Uiso 1 1 calc R
C42 C 0.3208(3) 0.0002(2) 0.9384(2) 0.0825(10) Uani 1 1 d .
H42A H 0.3874 -0.0299 0.9550 0.099 Uiso 1 1 calc R
H42B H 0.2645 -0.0280 0.8947 0.099 Uiso 1 1 calc R
C43 C 0.2840(4) 0.0128(3) 1.0201(3) 0.1122(16) Uani 1 1 d .
H43A H 0.2732 -0.0348 1.0451 0.168 Uiso 1 1 calc R
H43B H 0.2160 0.0404 1.0036 0.168 Uiso 1 1 calc R
H43C H 0.3392 0.0409 1.0637 0.168 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 0.0181 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_3
C6 C1 C2 118.78(19) .
C6 C1 C10 119.31(18) .
C2 C1 C10 121.9(2) .
O15 C2 C3 126.5(2) .
O15 C2 C1 115.62(19) .
C3 C2 C1 117.9(2) .
C4 C3 C2 118.7(2) .
N5 C4 C3 125.0(2) .
N5 C4 C25 117.6(2) .
C3 C4 C25 117.3(2) .
C6 N5 C4 115.6(2) .
N5 C6 C1 123.9(2) .
N5 C6 C7 119.01(19) .
C1 C6 C7 117.08(18) .
C29 C7 C8 112.49(17) .
C29 C7 C6 112.15(18) .
C8 C7 C6 106.31(17) .
C29 C7 C10 108.65(18) 3_656
C8 C7 C10 108.08(16) 3_656
C6 C7 C10 109.02(16) 3_656
N11 C8 C9 124.16(19) .
N11 C8 C7 118.55(19) .
C9 C8 C7 117.26(18) .
C14 C9 C8 118.69(19) .
C14 C9 C10 122.28(19) .
C8 C9 C10 119.03(18) .
C1 C10 C9 107.59(17) .
C1 C10 C7 113.70(17) 3_656
C9 C10 C7 113.60(17) 3_656
C8 N11 C12 115.59(19) .
N11 C12 C13 125.1(2) .
N11 C12 C30 117.2(2) .
C13 C12 C30 117.7(2) .
C12 C13 C14 118.4(2) .
O34 C14 C9 115.84(19) .
O34 C14 C13 126.0(2) .
C9 C14 C13 118.1(2) .
C2 O15 C16 120.41(19) .
O15 C16 C17 104.4(2) .
O15 C16 C21 109.8(2) .
C17 C16 C21 114.9(3) .
C16 C17 C18 113.9(3) .
C17 C18 C19 113.4(3) .
C20 C19 C18 114.8(4) .
C16 C21 C22 115.1(3) .
C23 C22 C21 115.5(4) .
C24 C23 C22 117.5(5) .
O26 C25 O27 123.1(2) .
O26 C25 C4 122.8(3) .
O27 C25 C4 114.1(2) .
C25 O27 C28 115.3(2) .
O31 C30 O32 123.9(2) .
O31 C30 C12 122.7(2) .
O32 C30 C12 113.3(2) .
C30 O32 C33 115.9(2) .
C14 O34 C35 121.46(18) .
O34 C35 C40 107.7(2) .
O34 C35 C36 105.7(2) .
C40 C35 C36 116.6(2) .
C37 C36 C35 116.8(2) .
C36 C37 C38 112.1(3) .
C39 C38 C37 114.6(3) .
C35 C40 C41 113.6(2) .
C42 C41 C40 114.2(3) .
C41 C42 C43 113.2(3) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C6 1.390(3) .
C1 C2 1.396(3) .
C1 C10 1.509(3) .
C2 O15 1.351(3) .
C2 C3 1.382(3) .
C3 C4 1.374(3) .
C4 N5 1.345(3) .
C4 C25 1.506(3) .
N5 C6 1.339(3) .
C6 C7 1.528(3) .
C7 C29 1.523(3) .
C7 C8 1.527(3) .
C7 C10 1.622(3) 3_656
C8 N11 1.338(3) .
C8 C9 1.393(3) .
C9 C14 1.391(3) .
C9 C10 1.512(3) .
C10 C7 1.622(3) 3_656
N11 C12 1.345(3) .
C12 C13 1.376(3) .
C12 C30 1.508(3) .
C13 C14 1.392(3) .
C14 O34 1.353(3) .
O15 C16 1.453(3) .
C16 C17 1.505(4) .
C16 C21 1.507(4) .
C17 C18 1.522(5) .
C18 C19 1.539(5) .
C19 C20 1.445(7) .
C21 C22 1.536(5) .
C22 C23 1.470(7) .
C23 C24 1.417(7) .
C25 O26 1.196(3) .
C25 O27 1.322(3) .
O27 C28 1.444(3) .
C30 O31 1.197(3) .
C30 O32 1.311(3) .
O32 C33 1.441(3) .
O34 C35 1.459(3) .
C35 C40 1.506(4) .
C35 C36 1.512(4) .
C36 C37 1.507(4) .
C37 C38 1.517(4) .
C38 C39 1.501(5) .
C40 C41 1.525(4) .
C41 C42 1.504(4) .
C42 C43 1.505(5) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C6 C1 C2 O15 -176.2(2) . .
C10 C1 C2 O15 4.7(3) . .
C6 C1 C2 C3 2.7(3) . .
C10 C1 C2 C3 -176.5(2) . .
O15 C2 C3 C4 177.9(2) . .
C1 C2 C3 C4 -0.8(3) . .
C2 C3 C4 N5 -1.2(4) . .
C2 C3 C4 C25 177.1(2) . .
C3 C4 N5 C6 1.2(3) . .
C25 C4 N5 C6 -177.1(2) . .
C4 N5 C6 C1 0.9(3) . .
C4 N5 C6 C7 -178.6(2) . .
C2 C1 C6 N5 -2.8(3) . .
C10 C1 C6 N5 176.4(2) . .
C2 C1 C6 C7 176.67(19) . .
C10 C1 C6 C7 -4.1(3) . .
N5 C6 C7 C29 -10.2(3) . .
C1 C6 C7 C29 170.30(19) . .
N5 C6 C7 C8 -133.5(2) . .
C1 C6 C7 C8 47.0(2) . .
N5 C6 C7 C10 110.2(2) . 3_656
C1 C6 C7 C10 -69.3(2) . 3_656
C29 C7 C8 N11 13.2(3) . .
C6 C7 C8 N11 136.3(2) . .
C10 C7 C8 N11 -106.8(2) 3_656 .
C29 C7 C8 C9 -168.99(19) . .
C6 C7 C8 C9 -45.9(2) . .
C10 C7 C8 C9 71.1(2) 3_656 .
N11 C8 C9 C14 -1.3(3) . .
C7 C8 C9 C14 -179.0(2) . .
N11 C8 C9 C10 179.8(2) . .
C7 C8 C9 C10 2.1(3) . .
C6 C1 C10 C9 -40.2(3) . .
C2 C1 C10 C9 139.0(2) . .
C6 C1 C10 C7 86.5(2) . 3_656
C2 C1 C10 C7 -94.3(2) . 3_656
C14 C9 C10 C1 -137.7(2) . .
C8 C9 C10 C1 41.2(3) . .
C14 C9 C10 C7 95.6(2) . 3_656
C8 C9 C10 C7 -85.6(2) . 3_656
C9 C8 N11 C12 0.3(3) . .
C7 C8 N11 C12 178.00(19) . .
C8 N11 C12 C13 0.2(3) . .
C8 N11 C12 C30 178.3(2) . .
N11 C12 C13 C14 0.4(4) . .
C30 C12 C13 C14 -177.7(2) . .
C8 C9 C14 O34 -176.6(2) . .
C10 C9 C14 O34 2.3(3) . .
C8 C9 C14 C13 1.7(3) . .
C10 C9 C14 C13 -179.4(2) . .
C12 C13 C14 O34 176.8(2) . .
C12 C13 C14 C9 -1.3(3) . .
C3 C2 O15 C16 16.5(4) . .
C1 C2 O15 C16 -164.8(2) . .
C2 O15 C16 C17 -167.8(2) . .
C2 O15 C16 C21 68.5(3) . .
O15 C16 C17 C18 70.5(3) . .
C21 C16 C17 C18 -169.2(3) . .
C16 C17 C18 C19 -176.5(3) . .
C17 C18 C19 C20 73.2(6) . .
O15 C16 C21 C22 54.2(4) . .
C17 C16 C21 C22 -63.1(4) . .
C16 C21 C22 C23 -160.8(5) . .
C21 C22 C23 C24 172.2(6) . .
N5 C4 C25 O26 177.9(3) . .
C3 C4 C25 O26 -0.6(4) . .
N5 C4 C25 O27 -1.1(3) . .
C3 C4 C25 O27 -179.5(2) . .
O26 C25 O27 C28 -1.5(4) . .
C4 C25 O27 C28 177.5(2) . .
N11 C12 C30 O31 -175.7(3) . .
C13 C12 C30 O31 2.6(4) . .
N11 C12 C30 O32 3.1(3) . .
C13 C12 C30 O32 -178.6(2) . .
O31 C30 O32 C33 0.0(4) . .
C12 C30 O32 C33 -178.8(3) . .
C9 C14 O34 C35 -172.7(2) . .
C13 C14 O34 C35 9.1(4) . .
C14 O34 C35 C40 89.2(3) . .
C14 O34 C35 C36 -145.4(2) . .
O34 C35 C36 C37 -59.6(3) . .
C40 C35 C36 C37 60.1(3) . .
C35 C36 C37 C38 177.2(2) . .
C36 C37 C38 C39 -179.3(3) . .
O34 C35 C40 C41 177.8(2) . .
C36 C35 C40 C41 59.2(3) . .
C35 C40 C41 C42 171.2(3) . .
C40 C41 C42 C43 178.5(3) . .
