
data_global

#####################################################################
# AUTHOR DATA #
#####################################################################

_audit_creation_date             21/11/2012
_audit_creation_method           'ModiCIF v2.00'
_audit_update_record             ?

data_LU28

#####################################################################
# CHEMICAL INFORMATION #
#####################################################################
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'C35 H34 N3 O5'
_chemical_formula_sum            'C35 H34 N3 O5'
_chemical_formula_weight         576.65
_chemical_melting_point          ?
_chemical_compound_source        ?

#####################################################################
# UNIT CELL INFORMATION #
#####################################################################
_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P -1'
_symmetry_space_group_name_Hall  '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z

_cell_length_a                   9.1861(12)
_cell_length_b                   13.0550(17)
_cell_length_c                   13.3338(17)
_cell_angle_alpha                75.872(3)
_cell_angle_beta                 81.166(3)
_cell_angle_gamma                89.590(3)
_cell_volume                     1531.5(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    294(2)
_cell_measurement_reflns_used    312
_cell_measurement_theta_min      6.54
_cell_measurement_theta_max      17.68

#####################################################################
# CRYSTAL INFORMATION #
#####################################################################
_exptl_crystal_description       plate
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.250
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             610
_exptl_special_details           ?

#####################################################################
# ABSORPTION CORRECTION #
#####################################################################
_exptl_absorpt_coefficient_mu    0.084
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?

#####################################################################
# DATA COLLECTION #
#####################################################################
_diffrn_ambient_temperature      294(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device       'Bruker SMART 1000 CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13335
_diffrn_reflns_av_R_equivalents  0.0736
_diffrn_reflns_av_sigmaI/netI    0.1563
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_measured_fraction_theta_max 0.995
_diffrn_reflns_theta_full        25.51
_diffrn_measured_fraction_theta_full 0.995
_diffrn_reflns_theta_min         1.61
_diffrn_reflns_theta_max         25.51
_reflns_number_total             5685
_reflns_number_gt                1992
_reflns_threshold_expression     I>2σ(I)

#####################################################################
# COMPUTING PROGRAMS #
#####################################################################
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_cell_refinement       'SAINT-Plus (Bruker, 1998)'
_computing_data_reduction        SAINT-Plus
_computing_structure_solution    'SIR97 (Altomare et al., 1999)'
_computing_structure_refinement  'SHELX97-L (Sheldrick, 2008)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

#####################################################################
# REFINEMENT INFORMATION #
#####################################################################
_refine_special_details          
;
Refinement of F² against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based on F,
with F set to zero for negative F². The threshold expression of F² >
2sigma(F²) is used only for calculating R-factors(gt) etc. and is not
relevant to the choice of reflections for refinement. R-factors based on
F² are statistically about twice as large as those based on F, and R-
factors based on ALL data will be even larger.
;
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     'calc w=1/[σ²(Fo²)]'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5685
_refine_ls_number_parameters     393
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1915
_refine_ls_R_factor_gt           0.0533
_refine_ls_wR_factor_ref         0.0648
_refine_ls_wR_factor_gt          0.0508
_refine_ls_goodness_of_fit_ref   0.870
_refine_ls_restrained_S_all      0.870
_refine_ls_abs_structure_Flack   ?
_refine_ls_abs_structure_details ?
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_diff_density_max         0.138
_refine_diff_density_min         -0.147
_refine_diff_density_rms         0.031

#####################################################################
# ATOMIC TYPES, COORDINATES AND DISPLACEMENT PARAMETERS #
#####################################################################
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
O O 0.0106 0.0060 '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'
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'

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
O1 O 0.0570(2) 0.08882(17) 1.14548(16) 0.0724(7) Uani 1 1 d . . .
O2 O -0.0186(3) 0.17167(19) 0.5698(2) 0.1003(10) Uani 1 1 d . . .
O3 O 0.2156(3) 0.1757(2) 0.58794(19) 0.0807(8) Uani 1 1 d . . .
O4 O 0.4025(4) -0.1806(3) 0.3610(3) 0.1650(18) Uani 1 1 d . . .
O5 O 0.3239(4) -0.2724(2) 0.5126(2) 0.1224(13) Uani 1 1 d . . .
N1 N 0.1345(3) 0.1558(2) 1.0705(2) 0.0514(7) Uani 1 1 d . . .
N2 N 0.4090(3) 0.3587(2) 0.95922(19) 0.0495(7) Uani 1 1 d . . .
N3 N 0.3514(4) -0.1898(3) 0.4495(3) 0.0886(12) Uani 1 1 d . . .
C1 C 0.1080(3) 0.1855(2) 0.9686(2) 0.0432(8) Uani 1 1 d . . .
C2 C -0.0022(3) 0.1432(2) 0.9288(2) 0.0542(9) Uani 1 1 d . . .
H2 H -0.0677 0.0903 0.9707 0.065 Uiso 1 1 calc R . .
C3 C -0.0094(3) 0.1836(2) 0.8243(2) 0.0538(9) Uani 1 1 d . . .
H3 H -0.0805 0.1557 0.7949 0.065 Uiso 1 1 calc R . .
C4 C 0.0856(3) 0.2646(2) 0.7605(2) 0.0438(8) Uani 1 1 d . . .
C5 C 0.1915(3) 0.3056(2) 0.8044(2) 0.0431(8) Uani 1 1 d . . .
H5 H 0.2540 0.3609 0.7636 0.052 Uiso 1 1 calc R . .
C6 C 0.2054(3) 0.2656(2) 0.9079(2) 0.0396(8) Uani 1 1 d . . .
C7 C 0.3053(3) 0.2911(2) 0.9755(2) 0.0430(8) Uani 1 1 d . . .
C8 C 0.2640(3) 0.2154(2) 1.0849(2) 0.0447(9) Uani 1 1 d . . .
C9 C 0.3900(4) 0.1391(3) 1.1071(2) 0.0586(10) Uani 1 1 d . . .
C10 C 0.3737(4) 0.0307(3) 1.1196(2) 0.0778(12) Uani 1 1 d . . .
H10 H 0.2835 0.0020 1.1145 0.093 Uiso 1 1 calc R . .
C11 C 0.4903(6) -0.0352(3) 1.1394(3) 0.0964(15) Uani 1 1 d . . .
H11 H 0.4789 -0.1075 1.1466 0.116 Uiso 1 1 calc R . .
C12 C 0.6233(5) 0.0072(4) 1.1484(3) 0.0960(15) Uani 1 1 d . . .
H12 H 0.7013 -0.0370 1.1627 0.115 Uiso 1 1 calc R . .
C13 C 0.6417(4) 0.1124(4) 1.1365(3) 0.0883(14) Uani 1 1 d . . .
H13 H 0.7315 0.1405 1.1432 0.106 Uiso 1 1 calc R . .
C14 C 0.5268(4) 0.1774(3) 1.1146(3) 0.0739(11) Uani 1 1 d . . .
H14 H 0.5414 0.2498 1.1044 0.089 Uiso 1 1 calc R . .
C15 C 0.2218(3) 0.2662(2) 1.1777(2) 0.0600(10) Uani 1 1 d . . .
H15A H 0.1913 0.2085 1.2387 0.072 Uiso 1 1 calc R . .
H15B H 0.3123 0.2963 1.1889 0.072 Uiso 1 1 calc R . .
C16 C 0.1053(4) 0.3509(3) 1.1812(3) 0.0596(10) Uani 1 1 d . . .
C17 C -0.0410(3) 0.3197(3) 1.1549(3) 0.0942(13) Uani 1 1 d . . .
H17A H -0.1145 0.3684 1.1708 0.141 Uiso 1 1 calc R . .
H17B H -0.0707 0.2496 1.1955 0.141 Uiso 1 1 calc R . .
H17C H -0.0299 0.3213 1.0817 0.141 Uiso 1 1 calc R . .
C18 C 0.0787(4) 0.3628(3) 1.2939(3) 0.1036(14) Uani 1 1 d . . .
H18A H 0.1692 0.3843 1.3116 0.155 Uiso 1 1 calc R . .
H18B H 0.0438 0.2964 1.3406 0.155 Uiso 1 1 calc R . .
H18C H 0.0063 0.4152 1.3001 0.155 Uiso 1 1 calc R . .
C19 C 0.1553(4) 0.4569(3) 1.1086(3) 0.0976(13) Uani 1 1 d . . .
H19A H 0.1591 0.4530 1.0373 0.146 Uiso 1 1 calc R . .
H19B H 0.2515 0.4757 1.1195 0.146 Uiso 1 1 calc R . .
H19C H 0.0871 0.5095 1.1228 0.146 Uiso 1 1 calc R . .
C20 C 0.4491(3) 0.4249(3) 0.8565(3) 0.0489(9) Uani 1 1 d . . .
C21 C 0.4114(3) 0.5289(3) 0.8359(3) 0.0600(10) Uani 1 1 d . . .
H21 H 0.3649 0.5562 0.8903 0.072 Uiso 1 1 calc R . .
C22 C 0.4410(4) 0.5941(3) 0.7360(3) 0.0722(11) Uani 1 1 d . . .
H22 H 0.4111 0.6637 0.7232 0.087 Uiso 1 1 calc R . .
C23 C 0.5140(4) 0.5564(3) 0.6564(3) 0.0725(12) Uani 1 1 d . . .
H23 H 0.5332 0.5995 0.5888 0.087 Uiso 1 1 calc R . .
C24 C 0.5587(3) 0.4542(3) 0.6771(3) 0.0666(11) Uani 1 1 d . . .
H24 H 0.6106 0.4287 0.6232 0.080 Uiso 1 1 calc R . .
C25 C 0.5285(3) 0.3884(3) 0.7765(3) 0.0590(10) Uani 1 1 d . . .
H25 H 0.5616 0.3196 0.7894 0.071 Uiso 1 1 calc R . .
C26 C 0.0679(3) 0.3047(2) 0.6464(2) 0.0491(9) Uani 1 1 d . . .
C27 C -0.0822(3) 0.3521(2) 0.6366(2) 0.0761(11) Uani 1 1 d . . .
H27A H -0.1580 0.2993 0.6703 0.114 Uiso 1 1 calc R . .
H27B H -0.0911 0.3770 0.5639 0.114 Uiso 1 1 calc R . .
H27C H -0.0925 0.4101 0.6694 0.114 Uiso 1 1 calc R . .
C28 C 0.1860(4) 0.3882(2) 0.5839(2) 0.0713(11) Uani 1 1 d . . .
H28A H 0.1770 0.4497 0.6114 0.107 Uiso 1 1 calc R . .
H28B H 0.1730 0.4071 0.5116 0.107 Uiso 1 1 calc R . .
H28C H 0.2820 0.3599 0.5894 0.107 Uiso 1 1 calc R . .
C29 C 0.0777(4) 0.2106(3) 0.5971(3) 0.0597(10) Uani 1 1 d . . .
C30 C 0.2402(4) 0.0840(3) 0.5518(3) 0.0658(11) Uani 1 1 d . . .
C31 C 0.3182(4) 0.0932(3) 0.4538(3) 0.0779(12) Uani 1 1 d . . .
H31 H 0.3479 0.1595 0.4108 0.093 Uiso 1 1 calc R . .
C32 C 0.3526(4) 0.0026(3) 0.4192(3) 0.0809(13) Uani 1 1 d . . .
H32 H 0.4037 0.0072 0.3523 0.097 Uiso 1 1 calc R . .
C33 C 0.3100(4) -0.0929(3) 0.4850(3) 0.0640(11) Uani 1 1 d . . .
C34 C 0.2339(4) -0.1032(3) 0.5828(3) 0.0765(12) Uani 1 1 d . . .
H34 H 0.2072 -0.1696 0.6265 0.092 Uiso 1 1 calc R . .
C35 C 0.1966(4) -0.0121(4) 0.6163(3) 0.0813(12) Uani 1 1 d . . .
H35 H 0.1422 -0.0169 0.6823 0.098 Uiso 1 1 calc R . .


#####################################################################
# MOLECULAR GEOMETRY #
#####################################################################
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 N1 1.279(3) . ?
O2 C29 1.170(3) . ?
O3 C29 1.341(3) . ?
O3 C30 1.400(3) . ?
O4 N3 1.178(4) . ?
O5 N3 1.196(4) . ?
N1 C1 1.377(3) . ?
N1 C8 1.488(3) . ?
N2 C7 1.260(3) . ?
N2 C20 1.425(3) . ?
N3 C33 1.484(4) . ?
C1 C2 1.388(3) . ?
C1 C6 1.389(3) . ?
C2 C3 1.377(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.397(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.383(3) . ?
C4 C26 1.517(4) . ?
C5 C6 1.377(3) . ?
C5 H5 0.9300 . ?
C6 C7 1.473(3) . ?
C7 C8 1.542(4) . ?
C8 C9 1.538(4) . ?
C8 C15 1.540(3) . ?
C9 C14 1.382(4) . ?
C9 C10 1.391(4) . ?
C10 C11 1.385(4) . ?
C10 H10 0.9300 . ?
C11 C12 1.379(5) . ?
C11 H11 0.9300 . ?
C12 C13 1.353(4) . ?
C12 H12 0.9300 . ?
C13 C14 1.371(4) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C15 C16 1.537(4) . ?
C15 H15A 0.9700 . ?
C15 H15B 0.9700 . ?
C16 C19 1.511(4) . ?
C16 C17 1.522(4) . ?
C16 C18 1.531(4) . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 C21 1.371(4) . ?
C20 C25 1.379(4) . ?
C21 C22 1.383(4) . ?
C21 H21 0.9300 . ?
C22 C23 1.360(4) . ?
C22 H22 0.9300 . ?
C23 C24 1.368(4) . ?
C23 H23 0.9300 . ?
C24 C25 1.380(4) . ?
C24 H24 0.9300 . ?
C25 H25 0.9300 . ?
C26 C27 1.519(4) . ?
C26 C29 1.524(4) . ?
C26 C28 1.535(4) . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C30 C35 1.360(4) . ?
C30 C31 1.368(4) . ?
C31 C32 1.388(4) . ?
C31 H31 0.9300 . ?
C32 C33 1.359(4) . ?
C32 H32 0.9300 . ?
C33 C34 1.357(4) . ?
C34 C35 1.392(4) . ?
C34 H34 0.9300 . ?
C35 H35 0.9300 . ?

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
C29 O3 C30 117.6(3) . . ?
O1 N1 C1 125.7(3) . . ?
O1 N1 C8 123.0(3) . . ?
C1 N1 C8 111.3(3) . . ?
C7 N2 C20 118.8(3) . . ?
O4 N3 O5 124.7(5) . . ?
O4 N3 C33 118.4(4) . . ?
O5 N3 C33 116.8(4) . . ?
N1 C1 C2 125.7(3) . . ?
N1 C1 C6 111.7(3) . . ?
C2 C1 C6 122.6(3) . . ?
C3 C2 C1 116.5(3) . . ?
C3 C2 H2 121.7 . . ?
C1 C2 H2 121.7 . . ?
C2 C3 C4 122.8(3) . . ?
C2 C3 H3 118.6 . . ?
C4 C3 H3 118.6 . . ?
C5 C4 C3 118.4(3) . . ?
C5 C4 C26 122.7(3) . . ?
C3 C4 C26 118.9(3) . . ?
C6 C5 C4 120.8(3) . . ?
C6 C5 H5 119.6 . . ?
C4 C5 H5 119.6 . . ?
C5 C6 C1 118.8(3) . . ?
C5 C6 C7 133.4(3) . . ?
C1 C6 C7 107.7(3) . . ?
N2 C7 C6 132.6(3) . . ?
N2 C7 C8 119.8(3) . . ?
C6 C7 C8 107.5(3) . . ?
N1 C8 C9 109.3(3) . . ?
N1 C8 C15 109.8(2) . . ?
C9 C8 C15 109.3(2) . . ?
N1 C8 C7 101.7(2) . . ?
C9 C8 C7 109.4(3) . . ?
C15 C8 C7 117.0(2) . . ?
C14 C9 C10 117.2(3) . . ?
C14 C9 C8 120.2(3) . . ?
C10 C9 C8 122.7(3) . . ?
C11 C10 C9 120.8(4) . . ?
C11 C10 H10 119.6 . . ?
C9 C10 H10 119.6 . . ?
C12 C11 C10 119.5(4) . . ?
C12 C11 H11 120.2 . . ?
C10 C11 H11 120.2 . . ?
C13 C12 C11 120.7(4) . . ?
C13 C12 H12 119.6 . . ?
C11 C12 H12 119.6 . . ?
C12 C13 C14 119.4(4) . . ?
C12 C13 H13 120.3 . . ?
C14 C13 H13 120.3 . . ?
C13 C14 C9 122.4(4) . . ?
C13 C14 H14 118.8 . . ?
C9 C14 H14 118.8 . . ?
C16 C15 C8 124.2(3) . . ?
C16 C15 H15A 106.3 . . ?
C8 C15 H15A 106.3 . . ?
C16 C15 H15B 106.3 . . ?
C8 C15 H15B 106.3 . . ?
H15A C15 H15B 106.4 . . ?
C19 C16 C17 107.8(3) . . ?
C19 C16 C18 108.7(3) . . ?
C17 C16 C18 108.0(3) . . ?
C19 C16 C15 112.9(3) . . ?
C17 C16 C15 112.9(3) . . ?
C18 C16 C15 106.3(3) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C21 C20 C25 118.2(3) . . ?
C21 C20 N2 119.7(3) . . ?
C25 C20 N2 122.0(3) . . ?
C20 C21 C22 121.4(3) . . ?
C20 C21 H21 119.3 . . ?
C22 C21 H21 119.3 . . ?
C23 C22 C21 119.9(3) . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C23 C24 119.1(4) . . ?
C22 C23 H23 120.5 . . ?
C24 C23 H23 120.5 . . ?
C23 C24 C25 121.3(3) . . ?
C23 C24 H24 119.3 . . ?
C25 C24 H24 119.3 . . ?
C20 C25 C24 119.8(3) . . ?
C20 C25 H25 120.1 . . ?
C24 C25 H25 120.1 . . ?
C4 C26 C27 110.8(3) . . ?
C4 C26 C29 107.9(3) . . ?
C27 C26 C29 107.9(3) . . ?
C4 C26 C28 113.3(3) . . ?
C27 C26 C28 108.1(3) . . ?
C29 C26 C28 108.7(3) . . ?
C26 C27 H27A 109.5 . . ?
C26 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
C26 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
C26 C28 H28A 109.5 . . ?
C26 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C26 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
O2 C29 O3 122.6(3) . . ?
O2 C29 C26 126.7(4) . . ?
O3 C29 C26 110.7(3) . . ?
C35 C30 C31 121.3(4) . . ?
C35 C30 O3 120.0(4) . . ?
C31 C30 O3 118.4(4) . . ?
C30 C31 C32 119.4(4) . . ?
C30 C31 H31 120.3 . . ?
C32 C31 H31 120.3 . . ?
C33 C32 C31 118.6(4) . . ?
C33 C32 H32 120.7 . . ?
C31 C32 H32 120.7 . . ?
C34 C33 C32 122.6(4) . . ?
C34 C33 N3 118.8(4) . . ?
C32 C33 N3 118.6(4) . . ?
C33 C34 C35 118.6(4) . . ?
C33 C34 H34 120.7 . . ?
C35 C34 H34 120.7 . . ?
C30 C35 C34 119.4(4) . . ?
C30 C35 H35 120.3 . . ?
C34 C35 H35 120.3 . . ?

#=== END OF CIF



