# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry B.
# This journal is © The Royal Society of Chemistry 2014

#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_zhang

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C30 H28 N2 O4'
_chemical_formula_weight         480.54

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'

_symmetry_cell_setting           ?
_symmetry_space_group_name_H-M   ?

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'

_cell_length_a                   10.326(5)
_cell_length_b                   22.629(5)
_cell_length_c                   12.174(5)
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 114.636(5)
_cell_angle_gamma                90.000(5)
_cell_volume                     2585.7(17)
_cell_formula_units_Z            4
_cell_measurement_temperature    291(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.24
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.234
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1016
_exptl_absorpt_coefficient_mu    0.082
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  0.9773
_exptl_absorpt_correction_T_max  0.9805
_exptl_absorpt_process_details   ?

_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      291(2)
_diffrn_radiation_wavelength     0.71069
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            18272
_diffrn_reflns_av_R_equivalents  0.0484
_diffrn_reflns_av_sigmaI/netI    0.0501
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         1.80
_diffrn_reflns_theta_max         25.00
_reflns_number_total             4548
_reflns_number_gt                1992
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.1034P)²+0.1274P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         4548
_refine_ls_number_parameters     376
_refine_ls_number_restraints     201
_refine_ls_R_factor_all          0.1583
_refine_ls_R_factor_gt           0.0688
_refine_ls_wR_factor_ref         0.2322
_refine_ls_wR_factor_gt          0.1895
_refine_ls_goodness_of_fit_ref   1.072
_refine_ls_restrained_S_all      1.196
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
N2 N 0.9554(3) 0.30443(14) 0.0924(3) 0.0744(9) Uani 1 1 d . . .
C6 C 1.0524(4) 0.25608(17) 0.1374(3) 0.0660(10) Uani 1 1 d . . .
C9 C 0.8649(4) 0.30500(18) -0.0345(4) 0.0668(10) Uani 1 1 d . . .
C15 C 0.9196(4) 0.33923(16) 0.1712(3) 0.0640(10) Uani 1 1 d . . .
C20 C 0.8482(5) 0.40660(17) 0.3325(4) 0.0740(11) Uani 1 1 d . . .
C12 C 0.6849(4) 0.3065(2) -0.2777(4) 0.0846(11) Uani 1 1 d U B .
C17 C 0.7884(4) 0.36667(17) 0.1341(4) 0.0766(11) Uani 1 1 d . . .
H17 H 0.7221 0.3628 0.0544 0.092 Uiso 1 1 calc R . .
C18 C 0.7549(5) 0.39951(18) 0.2133(4) 0.0842(12) Uani 1 1 d . . .
H18 H 0.6660 0.4176 0.1855 0.101 Uiso 1 1 calc R . .
C16 C 1.0163(4) 0.34670(17) 0.2899(4) 0.0715(10) Uani 1 1 d . . .
H16 H 1.1055 0.3291 0.3167 0.086 Uiso 1 1 calc R . .
C19 C 0.9820(4) 0.38017(17) 0.3697(4) 0.0765(11) Uani 1 1 d . . .
H19 H 1.0491 0.3851 0.4489 0.092 Uiso 1 1 calc R . .
O2 O 0.5929(3) 0.31218(17) -0.3991(3) 0.1156(10) Uani 1 1 d DU . .
C23 C 0.8420(5) 0.48508(19) 0.6137(4) 0.0831(12) Uani 1 1 d . . .
C5 C 1.1538(4) 0.24697(19) 0.0920(3) 0.0815(12) Uani 1 1 d . . .
H5 H 1.1613 0.2733 0.0364 0.098 Uiso 1 1 calc R . .
C13 C 0.7530(4) 0.3567(2) -0.2233(4) 0.0827(12) Uani 1 1 d D . .
H13 H 0.7383 0.3916 -0.2674 0.099 Uiso 1 1 calc R B .
C14 C 0.8440(4) 0.35587(19) -0.1023(4) 0.0808(12) Uani 1 1 d . B .
H14 H 0.8922 0.3902 -0.0657 0.097 Uiso 1 1 calc R . .
C4 C 1.2439(4) 0.1984(2) 0.1298(4) 0.0934(14) Uani 1 1 d . A .
H4 H 1.3102 0.1919 0.0978 0.112 Uiso 1 1 calc R . .
C27 C 0.7718(6) 0.5454(2) 0.7786(5) 0.0903(13) Uani 1 1 d . . .
C8 C 1.1403(5) 0.16956(19) 0.2606(4) 0.0924(13) Uani 1 1 d . A .
H8 H 1.1372 0.1441 0.3195 0.111 Uiso 1 1 calc R . .
C21 C 0.8073(5) 0.44067(19) 0.4154(4) 0.0868(12) Uani 1 1 d . . .
H21 H 0.7164 0.4570 0.3826 0.104 Uiso 1 1 calc R . .
C28 C 0.9014(6) 0.5181(2) 0.8152(4) 0.0947(14) Uani 1 1 d . . .
H28 H 0.9661 0.5195 0.8958 0.114 Uiso 1 1 calc R . .
C22 C 0.8825(5) 0.45057(19) 0.5277(4) 0.0900(13) Uani 1 1 d . . .
H22 H 0.9735 0.4343 0.5600 0.108 Uiso 1 1 calc R . .
C7 C 1.0461(4) 0.21730(19) 0.2209(4) 0.0827(12) Uani 1 1 d . . .
H7 H 0.9784 0.2227 0.2518 0.099 Uiso 1 1 calc R . .
C11 C 0.7064(4) 0.2547(2) -0.2148(4) 0.0859(12) Uani 1 1 d . . .
H11 H 0.6615 0.2201 -0.2532 0.103 Uiso 1 1 calc R B .
N1 N 0.7381(6) 0.5761(2) 0.8698(5) 0.1168(16) Uani 1 1 d . . .
C3 C 1.2361(5) 0.1605(2) 0.2129(4) 0.0920(13) Uani 1 1 d D . .
C10 C 0.7962(4) 0.25466(19) -0.0927(4) 0.0796(12) Uani 1 1 d . B .
H10 H 0.8103 0.2197 -0.0491 0.096 Uiso 1 1 calc R . .
C24 C 0.9353(5) 0.4886(2) 0.7318(5) 0.0933(13) Uani 1 1 d . . .
H24 H 1.0240 0.4706 0.7569 0.112 Uiso 1 1 calc R . .
C25 C 0.7124(5) 0.5139(2) 0.5777(4) 0.1009(15) Uani 1 1 d . . .
H25 H 0.6488 0.5127 0.4967 0.121 Uiso 1 1 calc R . .
C26 C 0.6738(5) 0.5451(2) 0.6602(5) 0.1066(15) Uani 1 1 d . . .
H26 H 0.5866 0.5644 0.6356 0.128 Uiso 1 1 calc R . .
O4 O 0.6245(5) 0.6013(2) 0.8354(4) 0.1542(17) Uani 1 1 d . . .
O3 O 0.8223(5) 0.5738(2) 0.9753(4) 0.1562(18) Uani 1 1 d . . .
C1 C 1.498(4) 0.0508(15) 0.377(3) 0.106(6) Uani 0.308(8) 1 d PDU A 1
H1A H 1.4262 0.0214 0.3651 0.159 Uiso 0.308(8) 1 calc PR A 1
H1B H 1.5326 0.0655 0.4587 0.159 Uiso 0.308(8) 1 calc PR A 1
H1C H 1.5751 0.0337 0.3641 0.159 Uiso 0.308(8) 1 calc PR A 1
O1 O 1.2862(13) 0.1016(6) 0.2592(13) 0.101(3) Uani 0.308(8) 1 d PDU A 1
C2 C 1.4317(17) 0.1032(9) 0.286(2) 0.118(4) Uani 0.308(8) 1 d PDU A 1
H2A H 1.4730 0.1407 0.3230 0.141 Uiso 0.308(8) 1 calc PR A 1
H2B H 1.4476 0.0976 0.2138 0.141 Uiso 0.308(8) 1 calc PR A 1
C1' C 1.5023(17) 0.0441(7) 0.3482(13) 0.109(4) Uani 0.692(8) 1 d PDU A 2
H1'1 H 1.4688 0.0228 0.2731 0.164 Uiso 0.692(8) 1 calc PR A 2
H1'2 H 1.5251 0.0166 0.4137 0.164 Uiso 0.692(8) 1 calc PR A 2
H1'3 H 1.5859 0.0662 0.3585 0.164 Uiso 0.692(8) 1 calc PR A 2
C2' C 1.3849(9) 0.0868(3) 0.3468(7) 0.113(2) Uani 0.692(8) 1 d PDU A 2
H2'1 H 1.3049 0.0651 0.3488 0.135 Uiso 0.692(8) 1 calc PR A 2
H2'2 H 1.4216 0.1134 0.4154 0.135 Uiso 0.692(8) 1 calc PR A 2
O1' O 1.3448(7) 0.1177(3) 0.2384(5) 0.115(2) Uani 0.692(8) 1 d PDU A 2
C29 C 0.5326(7) 0.2659(3) -0.4671(6) 0.1062(18) Uani 0.745(6) 1 d PDU B 1
H29A H 0.4761 0.2445 -0.4336 0.127 Uiso 0.745(6) 1 calc PR B 1
H29B H 0.6053 0.2395 -0.4696 0.127 Uiso 0.745(6) 1 calc PR B 1
C30 C 0.4381(8) 0.2872(3) -0.5939(6) 0.115(2) Uani 0.745(6) 1 d PDU B 1
H30A H 0.3757 0.3177 -0.5896 0.173 Uiso 0.745(6) 1 calc PR B 1
H30B H 0.3825 0.2548 -0.6408 0.173 Uiso 0.745(6) 1 calc PR B 1
H30C H 0.4964 0.3026 -0.6314 0.173 Uiso 0.745(6) 1 calc PR B 1
C29' C 0.5706(19) 0.3493(8) -0.4808(9) 0.116(3) Uani 0.255(6) 1 d PDU B 2
H29C H 0.6602 0.3614 -0.4819 0.140 Uiso 0.255(6) 1 calc PR B 2
H29D H 0.5246 0.3840 -0.4665 0.140 Uiso 0.255(6) 1 calc PR B 2
C30' C 0.472(2) 0.3202(9) -0.6054(9) 0.108(4) Uani 0.255(6) 1 d PDU B 2
H30D H 0.5161 0.2848 -0.6170 0.163 Uiso 0.255(6) 1 calc PR B 2
H30E H 0.4582 0.3474 -0.6698 0.163 Uiso 0.255(6) 1 calc PR B 2
H30F H 0.3814 0.3106 -0.6054 0.163 Uiso 0.255(6) 1 calc PR B 2


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
N2 C15 1.405(4) . ?
N2 C6 1.429(4) . ?
N2 C9 1.434(5) . ?
C6 C7 1.365(5) . ?
C6 C5 1.387(5) . ?
C9 C10 1.372(5) . ?
C9 C14 1.380(5) . ?
C15 C17 1.384(5) . ?
C15 C16 1.382(5) . ?
C20 C18 1.376(5) . ?
C20 C19 1.397(5) . ?
C20 C21 1.465(5) . ?
C12 C13 1.354(6) . ?
C12 C11 1.368(6) . ?
C12 O2 1.391(5) . ?
C17 C18 1.371(5) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C16 C19 1.389(5) . ?
C16 H16 0.9300 . ?
C19 H19 0.9300 . ?
O2 C29' 1.248(13) . ?
O2 C29 1.318(6) . ?
C23 C24 1.359(6) . ?
C23 C25 1.385(6) . ?
C23 C22 1.498(6) . ?
C5 C4 1.388(5) . ?
C5 H5 0.9300 . ?
C13 C14 1.378(5) . ?
C13 H13 0.9300 . ?
C14 H14 0.9300 . ?
C4 C3 1.354(6) . ?
C4 H4 0.9300 . ?
C27 C28 1.369(6) . ?
C27 C26 1.373(6) . ?
C27 N1 1.468(6) . ?
C8 C3 1.356(6) . ?
C8 C7 1.398(6) . ?
C8 H8 0.9300 . ?
C21 C22 1.280(5) . ?
C21 H21 0.9300 . ?
C28 C24 1.376(6) . ?
C28 H28 0.9300 . ?
C22 H22 0.9300 . ?
C7 H7 0.9300 . ?
C11 C10 1.386(6) . ?
C11 H11 0.9300 . ?
N1 O4 1.211(6) . ?
N1 O3 1.216(5) . ?
C3 O1' 1.415(7) . ?
C3 O1 1.456(12) . ?
C10 H10 0.9300 . ?
C24 H24 0.9300 . ?
C25 C26 1.415(6) . ?
C25 H25 0.9300 . ?
C26 H26 0.9300 . ?
C1 C2 1.57(2) . ?
C1 H1A 0.9600 . ?
C1 H1B 0.9600 . ?
C1 H1C 0.9600 . ?
O1 C2 1.398(18) . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C1' C2' 1.544(13) . ?
C1' H1'1 0.9600 . ?
C1' H1'2 0.9600 . ?
C1' H1'3 0.9600 . ?
C2' O1' 1.395(10) . ?
C2' H2'1 0.9700 . ?
C2' H2'2 0.9700 . ?
C29 C30 1.521(7) . ?
C29 H29A 0.9700 . ?
C29 H29B 0.9700 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C29' C30' 1.577(13) . ?
C29' H29C 0.9700 . ?
C29' H29D 0.9700 . ?
C30' H30D 0.9600 . ?
C30' H30E 0.9600 . ?
C30' H30F 0.9600 . ?

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
C15 N2 C6 120.6(3) . . ?
C15 N2 C9 119.5(3) . . ?
C6 N2 C9 117.2(3) . . ?
C7 C6 C5 118.6(4) . . ?
C7 C6 N2 122.3(3) . . ?
C5 C6 N2 119.1(4) . . ?
C10 C9 C14 117.7(4) . . ?
C10 C9 N2 120.8(4) . . ?
C14 C9 N2 121.4(4) . . ?
C17 C15 C16 117.9(4) . . ?
C17 C15 N2 122.0(3) . . ?
C16 C15 N2 120.1(3) . . ?
C18 C20 C19 117.1(4) . . ?
C18 C20 C21 120.8(4) . . ?
C19 C20 C21 122.2(4) . . ?
C13 C12 C11 121.1(4) . . ?
C13 C12 O2 115.3(5) . . ?
C11 C12 O2 123.6(5) . . ?
C18 C17 C15 120.9(4) . . ?
C18 C17 H17 119.5 . . ?
C15 C17 H17 119.5 . . ?
C17 C18 C20 122.2(4) . . ?
C17 C18 H18 118.9 . . ?
C20 C18 H18 118.9 . . ?
C15 C16 C19 121.0(4) . . ?
C15 C16 H16 119.5 . . ?
C19 C16 H16 119.5 . . ?
C16 C19 C20 120.9(4) . . ?
C16 C19 H19 119.6 . . ?
C20 C19 H19 119.6 . . ?
C29' O2 C29 98.7(7) . . ?
C29' O2 C12 136.6(7) . . ?
C29 O2 C12 122.0(5) . . ?
C24 C23 C25 118.2(4) . . ?
C24 C23 C22 119.3(5) . . ?
C25 C23 C22 122.6(4) . . ?
C6 C5 C4 119.9(4) . . ?
C6 C5 H5 120.1 . . ?
C4 C5 H5 120.1 . . ?
C12 C13 C14 119.6(4) . . ?
C12 C13 H13 120.2 . . ?
C14 C13 H13 120.2 . . ?
C13 C14 C9 121.2(4) . . ?
C13 C14 H14 119.4 . . ?
C9 C14 H14 119.4 . . ?
C3 C4 C5 120.6(4) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C28 C27 C26 122.1(4) . . ?
C28 C27 N1 118.4(5) . . ?
C26 C27 N1 119.5(5) . . ?
C3 C8 C7 119.7(4) . . ?
C3 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C22 C21 C20 127.4(4) . . ?
C22 C21 H21 116.3 . . ?
C20 C21 H21 116.3 . . ?
C27 C28 C24 119.6(5) . . ?
C27 C28 H28 120.2 . . ?
C24 C28 H28 120.2 . . ?
C21 C22 C23 128.1(4) . . ?
C21 C22 H22 116.0 . . ?
C23 C22 H22 116.0 . . ?
C6 C7 C8 120.8(4) . . ?
C6 C7 H7 119.6 . . ?
C8 C7 H7 119.6 . . ?
C12 C11 C10 118.7(4) . . ?
C12 C11 H11 120.6 . . ?
C10 C11 H11 120.6 . . ?
O4 N1 O3 123.2(5) . . ?
O4 N1 C27 117.5(6) . . ?
O3 N1 C27 119.2(6) . . ?
C4 C3 C8 120.3(4) . . ?
C4 C3 O1' 108.0(5) . . ?
C8 C3 O1' 131.5(5) . . ?
C4 C3 O1 138.4(7) . . ?
C8 C3 O1 100.2(7) . . ?
O1' C3 O1 33.6(4) . . ?
C9 C10 C11 121.6(4) . . ?
C9 C10 H10 119.2 . . ?
C11 C10 H10 119.2 . . ?
C23 C24 C28 121.5(5) . . ?
C23 C24 H24 119.2 . . ?
C28 C24 H24 119.2 . . ?
C23 C25 C26 122.1(4) . . ?
C23 C25 H25 118.9 . . ?
C26 C25 H25 118.9 . . ?
C27 C26 C25 116.4(5) . . ?
C27 C26 H26 121.8 . . ?
C25 C26 H26 121.8 . . ?
C2 O1 C3 103.9(12) . . ?
O1 C2 C1 105(2) . . ?
O1 C2 H2A 110.8 . . ?
C1 C2 H2A 110.8 . . ?
O1 C2 H2B 110.8 . . ?
C1 C2 H2B 110.8 . . ?
H2A C2 H2B 108.9 . . ?
C2' C1' H1'1 109.5 . . ?
C2' C1' H1'2 109.5 . . ?
H1'1 C1' H1'2 109.5 . . ?
C2' C1' H1'3 109.5 . . ?
H1'1 C1' H1'3 109.5 . . ?
H1'2 C1' H1'3 109.5 . . ?
O1' C2' C1' 104.3(9) . . ?
O1' C2' H2'1 110.9 . . ?
C1' C2' H2'1 110.9 . . ?
O1' C2' H2'2 110.9 . . ?
C1' C2' H2'2 110.9 . . ?
H2'1 C2' H2'2 108.9 . . ?
C2' O1' C3 116.6(6) . . ?
O2 C29 C30 108.8(5) . . ?
O2 C29 H29A 109.9 . . ?
C30 C29 H29A 109.9 . . ?
O2 C29 H29B 109.9 . . ?
C30 C29 H29B 109.9 . . ?
H29A C29 H29B 108.3 . . ?
O2 C29' C30' 108.4(12) . . ?
O2 C29' H29C 110.0 . . ?
C30' C29' H29C 110.0 . . ?
O2 C29' H29D 110.0 . . ?
C30' C29' H29D 110.0 . . ?
H29C C29' H29D 108.4 . . ?
C29' C30' H30D 109.5 . . ?
C29' C30' H30E 109.5 . . ?
H30D C30' H30E 109.5 . . ?
C29' C30' H30F 109.5 . . ?
H30D C30' H30F 109.5 . . ?
H30E C30' H30F 109.5 . . ?

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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C15 N2 C6 C7 43.4(5) . . . . ?
C9 N2 C6 C7 -117.9(4) . . . . ?
C15 N2 C6 C5 -138.7(4) . . . . ?
C9 N2 C6 C5 60.0(5) . . . . ?
C15 N2 C9 C10 -116.9(4) . . . . ?
C6 N2 C9 C10 44.6(5) . . . . ?
C15 N2 C9 C14 63.1(5) . . . . ?
C6 N2 C9 C14 -135.3(4) . . . . ?
C6 N2 C15 C17 -150.2(3) . . . . ?
C9 N2 C15 C17 10.8(5) . . . . ?
C6 N2 C15 C16 29.5(5) . . . . ?
C9 N2 C15 C16 -169.5(3) . . . . ?
C16 C15 C17 C18 -0.9(6) . . . . ?
N2 C15 C17 C18 178.7(3) . . . . ?
C15 C17 C18 C20 -0.4(6) . . . . ?
C19 C20 C18 C17 1.9(6) . . . . ?
C21 C20 C18 C17 -178.3(4) . . . . ?
C17 C15 C16 C19 0.7(5) . . . . ?
N2 C15 C16 C19 -179.0(3) . . . . ?
C15 C16 C19 C20 0.8(6) . . . . ?
C18 C20 C19 C16 -2.1(6) . . . . ?
C21 C20 C19 C16 178.1(3) . . . . ?
C13 C12 O2 C29' 14.9(16) . . . . ?
C11 C12 O2 C29' -165.7(15) . . . . ?
C13 C12 O2 C29 171.7(5) . . . . ?
C11 C12 O2 C29 -8.9(6) . . . . ?
C7 C6 C5 C4 1.4(6) . . . . ?
N2 C6 C5 C4 -176.6(3) . . . . ?
C11 C12 C13 C14 -0.8(6) . . . . ?
O2 C12 C13 C14 178.6(3) . . . . ?
C12 C13 C14 C9 -1.4(6) . . . . ?
C10 C9 C14 C13 2.4(6) . . . . ?
N2 C9 C14 C13 -177.6(3) . . . . ?
C6 C5 C4 C3 -1.5(6) . . . . ?
C18 C20 C21 C22 179.7(5) . . . . ?
C19 C20 C21 C22 -0.5(7) . . . . ?
C26 C27 C28 C24 -0.8(7) . . . . ?
N1 C27 C28 C24 179.4(4) . . . . ?
C20 C21 C22 C23 -179.7(4) . . . . ?
C24 C23 C22 C21 177.3(5) . . . . ?
C25 C23 C22 C21 -2.7(7) . . . . ?
C5 C6 C7 C8 0.4(6) . . . . ?
N2 C6 C7 C8 178.3(4) . . . . ?
C3 C8 C7 C6 -2.1(6) . . . . ?
C13 C12 C11 C10 2.0(6) . . . . ?
O2 C12 C11 C10 -177.4(3) . . . . ?
C28 C27 N1 O4 178.2(5) . . . . ?
C26 C27 N1 O4 -1.6(7) . . . . ?
C28 C27 N1 O3 -3.8(7) . . . . ?
C26 C27 N1 O3 176.4(5) . . . . ?
C5 C4 C3 C8 -0.2(7) . . . . ?
C5 C4 C3 O1' -176.8(5) . . . . ?
C5 C4 C3 O1 165.5(9) . . . . ?
C7 C8 C3 C4 2.0(7) . . . . ?
C7 C8 C3 O1' 177.7(5) . . . . ?
C7 C8 C3 O1 -168.4(6) . . . . ?
C14 C9 C10 C11 -1.3(6) . . . . ?
N2 C9 C10 C11 178.8(3) . . . . ?
C12 C11 C10 C9 -0.9(6) . . . . ?
C25 C23 C24 C28 2.1(7) . . . . ?
C22 C23 C24 C28 -177.9(4) . . . . ?
C27 C28 C24 C23 -1.0(7) . . . . ?
C24 C23 C25 C26 -1.6(7) . . . . ?
C22 C23 C25 C26 178.4(4) . . . . ?
C28 C27 C26 C25 1.3(7) . . . . ?
N1 C27 C26 C25 -179.0(4) . . . . ?
C23 C25 C26 C27 0.0(7) . . . . ?
C4 C3 O1 C2 50.1(18) . . . . ?
C8 C3 O1 C2 -142.4(13) . . . . ?
O1' C3 O1 C2 18.6(12) . . . . ?
C3 O1 C2 C1 160.1(18) . . . . ?
C1' C2' O1' C3 179.7(9) . . . . ?
C4 C3 O1' C2' 160.0(7) . . . . ?
C8 C3 O1' C2' -16.1(11) . . . . ?
O1 C3 O1' C2' -41.4(11) . . . . ?
C29' O2 C29 C30 -16.3(11) . . . . ?
C12 O2 C29 C30 179.6(5) . . . . ?
C29 O2 C29' C30' 7.1(16) . . . . ?
C12 O2 C29' C30' 167.3(10) . . . . ?

_diffrn_measured_fraction_theta_max 0.996
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.996
_refine_diff_density_max         0.360
_refine_diff_density_min         -0.250
_refine_diff_density_rms         0.036
_database_code_depnum_ccdc_archive 'CCDC 1006493'
