# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2014

#============================================================================== 

data_New_Global_Publ_Block

# publcif _publ_body_element loop start
loop_
_publ_body_element
_publ_body_title
_publ_body_contents

 section 
;
Introduction
; 
;

;
 section 
;
Experimental
; 
;

;
 subsection 
;
Synthesis and crystallization
;

;
(type here to add preparation details)
;
 subsection 
;
Refinement
;
;
Crystal data, data collection and structure refinement details are summarized
in Table 1. (type here to add refinement details)
;

 section 
;
Results and discussion
; 
;
(type here to add)
;
# publcif _publ_body_element loop end

# Added by publCIF - use a unique identifier for each data block

#==============================================================================


# SUBMISSION DETAILS

_publ_contact_author_name            ?   # Name of author for correspondence
_publ_contact_author_address             # Address of author for correspondence
?
_publ_contact_author_email           ?
_publ_contact_author_fax             ?
_publ_contact_author_phone           ?

_publ_contact_letter
?
   
_publ_requested_journal              ?
_publ_requested_category             ?   

#==============================================================================

# TITLE AND AUTHOR LIST

_publ_section_title
;
Title (type here to add)
;

_publ_section_title_footnote  # remove if not required
.         
 
# The loop structure below should contain the names and addresses of all 
# authors, in the required order of publication. Repeat as necessary.

# NB if using publCIF, the Author database tool might prove useful
# (see the Tools menu in publCIF)

loop_
_publ_author_name
_publ_author_address
_publ_author_email
_publ_author_footnote
? #'Last name, First name(s)'      
? # address
. # email address
. # Footnote to author if necessary

#==============================================================================

# TEXT

_publ_section_synopsis
.
_publ_section_abstract
;
(type here to add abstract)
;


_publ_section_acknowledgements 	# remove if not required
;
?
;


_publ_section_references
;
?
;


_publ_section_figure_captions
;

;


#==============================================================================


data_red 

_audit_update_record
;
2013-07-16 # Formatted by publCIF
;
 
_audit_creation_method            SHELXL-97 
_chemical_name_systematic 
? 
_chemical_name_common             ? 
_chemical_melting_point           ? 
_chemical_formula_moiety          'C31 H42 N2 O2' 
_chemical_formula_sum 
 'C31 H42 N2 O2' 
_chemical_formula_weight          474.67 
 
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            triclinic 
_symmetry_space_group_name_H-M    'P-1   ' 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, -z' 
 
_cell_length_a                    7.3355(5) 
_cell_length_b                    9.7607(7) 
_cell_length_c                    19.5372(14) 
_cell_angle_alpha                 97.873(5) 
_cell_angle_beta                  94.801(4) 
_cell_angle_gamma                 104.460(4) 
_cell_volume                      1331.60(16) 
_cell_formula_units_Z             2 
_cell_measurement_temperature     296(2) 
_cell_measurement_reflns_used    3642
_cell_measurement_theta_min        2.78
_cell_measurement_theta_max       26.90
 
_exptl_crystal_description        Block 
_exptl_crystal_colour             ? 
_exptl_crystal_size_max           0.29 
_exptl_crystal_size_mid           0.26 
_exptl_crystal_size_min           0.25 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.184 
_exptl_crystal_density_method     'not measured' 
_exptl_crystal_F_000              516.0 
_exptl_absorpt_coefficient_mu     0.073 
_exptl_absorpt_correction_type    none 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
_exptl_absorpt_process_details    ? 
 
_exptl_special_details 
? 
 
_diffrn_ambient_temperature       296(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_type   ? 
_diffrn_measurement_method        ? 
_diffrn_detector_area_resol_mean  ? 
_diffrn_reflns_number             16730 
_diffrn_reflns_av_R_equivalents   0.0516 
_diffrn_reflns_av_sigmaI/netI     0.0672 
_diffrn_reflns_limit_h_min        -8 
_diffrn_reflns_limit_h_max        8 
_diffrn_reflns_limit_k_min        -11 
_diffrn_reflns_limit_k_max        11 
_diffrn_reflns_limit_l_min        -23 
_diffrn_reflns_limit_l_max        23 
_diffrn_reflns_theta_min          2.12 
_diffrn_reflns_theta_max          25.00 
_reflns_number_total              4704 
_reflns_number_gt                 2812 
_reflns_threshold_expression      >2sigma(I) 
 
_computing_data_collection        ? 
_computing_cell_refinement        ? 
_computing_data_reduction         ? 
_computing_structure_solution     'SHELXS-97 (Sheldrick, 2008)' 
_computing_structure_refinement   'SHELXL-97 (Sheldrick, 2008)' 
_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)+(0.1000P)²+0.0000P] 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          4628 
_refine_ls_number_parameters      318 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.1121 
_refine_ls_R_factor_gt            0.0588 
_refine_ls_wR_factor_ref          0.1736 
_refine_ls_wR_factor_gt           0.1533 
_refine_ls_goodness_of_fit_ref    0.987 
_refine_ls_restrained_S_all       0.987 
_refine_ls_shift/su_max           0.000 
_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 
O1 O 1.4593(2) 0.04386(16) -0.18486(8) 0.0276(4) Uani 1 1 d . . . 
O2 O 2.3399(2) -0.09601(18) -0.41806(9) 0.0359(5) Uani 1 1 d . . . 
N1 N 2.2839(3) 0.5217(2) -0.59742(11) 0.0332(6) Uani 1 1 d . . . 
N2 N 2.1167(3) 0.0059(2) -0.37068(10) 0.0258(5) Uani 1 1 d . . . 
C1 C 2.2613(3) 0.5568(3) -0.53082(13) 0.0323(6) Uani 1 1 d . . . 
H1 H 2.2671 0.6520 -0.5145 0.039 Uiso 1 1 calc R . . 
C2 C 2.2299(3) 0.4611(3) -0.48472(12) 0.0283(6) Uani 1 1 d . . . 
H2 H 2.2109 0.4920 -0.4393 0.034 Uiso 1 1 calc R . . 
C3 C 2.2265(3) 0.3186(3) -0.50570(12) 0.0240(6) Uani 1 1 d . . . 
C4 C 2.1917(3) 0.2123(2) -0.45838(12) 0.0255(6) Uani 1 1 d . . . 
C5 C 2.0583(3) 0.2126(3) -0.41073(11) 0.0245(6) Uani 1 1 d . . . 
H5 H 1.9945 0.2839 -0.4074 0.029 Uiso 1 1 calc R . . 
C6 C 2.0211(3) 0.1092(2) -0.36915(11) 0.0217(6) Uani 1 1 d . . . 
C7 C 1.8739(3) 0.0963(2) -0.32027(11) 0.0223(6) Uani 1 1 d . . . 
C8 C 1.8501(3) -0.0073(2) -0.27748(11) 0.0241(6) Uani 1 1 d . . . 
H8 H 1.9289 -0.0687 -0.2788 0.029 Uiso 1 1 calc R . . 
C9 C 1.7128(3) -0.0216(2) -0.23302(12) 0.0241(6) Uani 1 1 d . . . 
H9 H 1.6996 -0.0922 -0.2049 0.029 Uiso 1 1 calc R . . 
C10 C 1.5935(3) 0.0697(2) -0.23014(12) 0.0233(6) Uani 1 1 d . . . 
C11 C 1.3427(3) 0.1424(2) -0.17624(12) 0.0242(6) Uani 1 1 d . . . 
H11A H 1.2711 0.1417 -0.2204 0.029 Uiso 1 1 calc R . . 
H11B H 1.4213 0.2390 -0.1595 0.029 Uiso 1 1 calc R . . 
C12 C 1.2094(3) 0.0950(2) -0.12411(12) 0.0233(6) Uani 1 1 d . . . 
H12A H 1.2822 0.0872 -0.0817 0.028 Uiso 1 1 calc R . . 
H12B H 1.1257 0.0011 -0.1428 0.028 Uiso 1 1 calc R . . 
C13 C 1.0910(3) 0.2008(2) -0.10717(12) 0.0229(6) Uani 1 1 d . . . 
H13A H 1.0233 0.2117 -0.1501 0.027 Uiso 1 1 calc R . . 
H13B H 1.1753 0.2937 -0.0870 0.027 Uiso 1 1 calc R . . 
C14 C 0.9481(3) 0.1539(2) -0.05677(12) 0.0234(6) Uani 1 1 d . . . 
H14A H 0.8637 0.0611 -0.0770 0.028 Uiso 1 1 calc R . . 
H14B H 1.0158 0.1428 -0.0140 0.028 Uiso 1 1 calc R . . 
C15 C 0.8301(3) 0.2594(2) -0.03962(12) 0.0229(6) Uani 1 1 d . . . 
H15A H 0.9148 0.3523 -0.0198 0.027 Uiso 1 1 calc R . . 
H15B H 0.7619 0.2700 -0.0825 0.027 Uiso 1 1 calc R . . 
C16 C 0.6882(3) 0.2141(2) 0.01097(12) 0.0220(6) Uani 1 1 d . . . 
H16A H 0.7561 0.2028 0.0537 0.026 Uiso 1 1 calc R . . 
H16B H 0.6025 0.1217 -0.0090 0.026 Uiso 1 1 calc R . . 
C17 C 0.5723(3) 0.3213(2) 0.02819(12) 0.0226(6) Uani 1 1 d . . . 
H17A H 0.6581 0.4138 0.0479 0.027 Uiso 1 1 calc R . . 
H17B H 0.5040 0.3322 -0.0146 0.027 Uiso 1 1 calc R . . 
C18 C 0.4307(3) 0.2770(2) 0.07917(12) 0.0238(6) Uani 1 1 d . . . 
H18A H 0.4988 0.2657 0.1219 0.029 Uiso 1 1 calc R . . 
H18B H 0.3443 0.1847 0.0594 0.029 Uiso 1 1 calc R . . 
C19 C 0.3158(3) 0.3850(2) 0.09649(12) 0.0240(6) Uani 1 1 d . . . 
H19A H 0.2479 0.3960 0.0537 0.029 Uiso 1 1 calc R . . 
H19B H 0.4027 0.4773 0.1159 0.029 Uiso 1 1 calc R . . 
C20 C 0.1731(3) 0.3432(3) 0.14782(12) 0.0249(6) Uani 1 1 d . . . 
H20A H 0.0870 0.2503 0.1289 0.030 Uiso 1 1 calc R . . 
H20B H 0.2408 0.3342 0.1911 0.030 Uiso 1 1 calc R . . 
C21 C 0.0582(3) 0.4519(2) 0.16303(12) 0.0252(6) Uani 1 1 d . . . 
H21A H 0.1447 0.5448 0.1816 0.030 Uiso 1 1 calc R . . 
H21B H -0.0096 0.4604 0.1197 0.030 Uiso 1 1 calc R . . 
C22 C -0.0839(3) 0.4124(3) 0.21439(12) 0.0281(6) Uani 1 1 d . . . 
H22A H -0.0158 0.4110 0.2589 0.034 Uiso 1 1 calc R . . 
H22B H -0.1653 0.3168 0.1976 0.034 Uiso 1 1 calc R . . 
C23 C -0.2064(3) 0.5173(3) 0.22463(12) 0.0279(6) Uani 1 1 d . . . 
H23A H -0.1252 0.6124 0.2430 0.034 Uiso 1 1 calc R . . 
H23B H -0.2707 0.5215 0.1798 0.034 Uiso 1 1 calc R . . 
C24 C -0.3534(3) 0.4757(3) 0.27379(13) 0.0345(7) Uani 1 1 d . . . 
H24A H -0.4302 0.3798 0.2571 0.052 Uiso 1 1 calc R . . 
H24B H -0.4325 0.5407 0.2758 0.052 Uiso 1 1 calc R . . 
H24C H -0.2904 0.4802 0.3195 0.052 Uiso 1 1 calc R . . 
C25 C 2.2804(3) 0.3837(3) -0.61699(13) 0.0308(6) Uani 1 1 d . . . 
H25 H 2.2962 0.3551 -0.6630 0.037 Uiso 1 1 calc R . . 
C26 C 2.2555(3) 0.2821(3) -0.57459(12) 0.0279(6) Uani 1 1 d . . . 
H26 H 2.2578 0.1888 -0.5916 0.033 Uiso 1 1 calc R . . 
C27 C 2.2853(3) 0.1048(3) -0.46076(13) 0.0290(6) Uani 1 1 d . . . 
H27 H 2.3733 0.0986 -0.4919 0.035 Uiso 1 1 calc R . . 
C28 C 2.2437(3) 0.0068(3) -0.41539(13) 0.0274(6) Uani 1 1 d . . . 
C29 C 2.2988(4) -0.1945(3) -0.36967(13) 0.0325(6) Uani 1 1 d . . . 
H29A H 2.3246 -0.1422 -0.3230 0.049 Uiso 1 1 calc R . . 
H29B H 2.3767 -0.2601 -0.3748 0.049 Uiso 1 1 calc R . . 
H29C H 2.1675 -0.2470 -0.3788 0.049 Uiso 1 1 calc R . . 
C30 C 1.6143(3) 0.1729(3) -0.27213(12) 0.0281(6) Uani 1 1 d . . . 
H30 H 1.5346 0.2336 -0.2709 0.034 Uiso 1 1 calc R . . 
C31 C 1.7536(3) 0.1871(3) -0.31653(12) 0.0274(6) Uani 1 1 d . . . 
H31 H 1.7671 0.2584 -0.3443 0.033 Uiso 1 1 calc R . . 
 
 
_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 
O1 C10 1.378(3) . ? 
O1 C11 1.440(2) . ? 
O2 C28 1.361(3) . ? 
O2 C29 1.436(3) . ? 
N1 C1 1.334(3) . ? 
N1 C25 1.342(3) . ? 
N2 C28 1.329(3) . ? 
N2 C6 1.363(3) . ? 
C1 C2 1.376(3) . ? 
C1 H1 0.9300 . ? 
C2 C3 1.389(3) . ? 
C2 H2 0.9300 . ? 
C3 C26 1.392(3) . ? 
C3 C4 1.472(3) . ? 
C4 C27 1.388(3) . ? 
C4 C5 1.406(3) . ? 
C5 C6 1.370(3) . ? 
C5 H5 0.9300 . ? 
C6 C7 1.494(3) . ? 
C7 C8 1.386(3) . ? 
C7 C31 1.398(3) . ? 
C8 C9 1.378(3) . ? 
C8 H8 0.9300 . ? 
C9 C10 1.396(3) . ? 
C9 H9 0.9300 . ? 
C10 C30 1.371(3) . ? 
C11 C12 1.509(3) . ? 
C11 H11A 0.9700 . ? 
C11 H11B 0.9700 . ? 
C12 C13 1.527(3) . ? 
C12 H12A 0.9700 . ? 
C12 H12B 0.9700 . ? 
C13 C14 1.528(3) . ? 
C13 H13A 0.9700 . ? 
C13 H13B 0.9700 . ? 
C14 C15 1.523(3) . ? 
C14 H14A 0.9700 . ? 
C14 H14B 0.9700 . ? 
C15 C16 1.522(3) . ? 
C15 H15A 0.9700 . ? 
C15 H15B 0.9700 . ? 
C16 C17 1.525(3) . ? 
C16 H16A 0.9700 . ? 
C16 H16B 0.9700 . ? 
C17 C18 1.525(3) . ? 
C17 H17A 0.9700 . ? 
C17 H17B 0.9700 . ? 
C18 C19 1.525(3) . ? 
C18 H18A 0.9700 . ? 
C18 H18B 0.9700 . ? 
C19 C20 1.530(3) . ? 
C19 H19A 0.9700 . ? 
C19 H19B 0.9700 . ? 
C20 C21 1.525(3) . ? 
C20 H20A 0.9700 . ? 
C20 H20B 0.9700 . ? 
C21 C22 1.524(3) . ? 
C21 H21A 0.9700 . ? 
C21 H21B 0.9700 . ? 
C22 C23 1.527(3) . ? 
C22 H22A 0.9700 . ? 
C22 H22B 0.9700 . ? 
C23 C24 1.521(3) . ? 
C23 H23A 0.9700 . ? 
C23 H23B 0.9700 . ? 
C24 H24A 0.9600 . ? 
C24 H24B 0.9600 . ? 
C24 H24C 0.9600 . ? 
C25 C26 1.365(3) . ? 
C25 H25 0.9300 . ? 
C26 H26 0.9300 . ? 
C27 C28 1.388(3) . ? 
C27 H27 0.9300 . ? 
C29 H29A 0.9600 . ? 
C29 H29B 0.9600 . ? 
C29 H29C 0.9600 . ? 
C30 C31 1.388(3) . ? 
C30 H30 0.9300 . ? 
C31 H31 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 
C10 O1 C11 116.87(17) . . ? 
C28 O2 C29 116.17(18) . . ? 
C1 N1 C25 114.8(2) . . ? 
C28 N2 C6 117.51(19) . . ? 
N1 C1 C2 124.3(2) . . ? 
N1 C1 H1 117.9 . . ? 
C2 C1 H1 117.9 . . ? 
C1 C2 C3 120.2(2) . . ? 
C1 C2 H2 119.9 . . ? 
C3 C2 H2 119.9 . . ? 
C2 C3 C26 115.8(2) . . ? 
C2 C3 C4 122.1(2) . . ? 
C26 C3 C4 122.0(2) . . ? 
C27 C4 C5 117.4(2) . . ? 
C27 C4 C3 121.0(2) . . ? 
C5 C4 C3 121.5(2) . . ? 
C6 C5 C4 121.0(2) . . ? 
C6 C5 H5 119.5 . . ? 
C4 C5 H5 119.5 . . ? 
N2 C6 C5 121.3(2) . . ? 
N2 C6 C7 114.2(2) . . ? 
C5 C6 C7 124.5(2) . . ? 
C8 C7 C31 117.5(2) . . ? 
C8 C7 C6 121.2(2) . . ? 
C31 C7 C6 121.3(2) . . ? 
C9 C8 C7 121.7(2) . . ? 
C9 C8 H8 119.2 . . ? 
C7 C8 H8 119.2 . . ? 
C8 C9 C10 120.0(2) . . ? 
C8 C9 H9 120.0 . . ? 
C10 C9 H9 120.0 . . ? 
C30 C10 O1 125.7(2) . . ? 
C30 C10 C9 119.3(2) . . ? 
O1 C10 C9 115.0(2) . . ? 
O1 C11 C12 107.74(18) . . ? 
O1 C11 H11A 110.2 . . ? 
C12 C11 H11A 110.2 . . ? 
O1 C11 H11B 110.2 . . ? 
C12 C11 H11B 110.2 . . ? 
H11A C11 H11B 108.5 . . ? 
C11 C12 C13 111.34(19) . . ? 
C11 C12 H12A 109.4 . . ? 
C13 C12 H12A 109.4 . . ? 
C11 C12 H12B 109.4 . . ? 
C13 C12 H12B 109.4 . . ? 
H12A C12 H12B 108.0 . . ? 
C12 C13 C14 113.14(19) . . ? 
C12 C13 H13A 109.0 . . ? 
C14 C13 H13A 109.0 . . ? 
C12 C13 H13B 109.0 . . ? 
C14 C13 H13B 109.0 . . ? 
H13A C13 H13B 107.8 . . ? 
C15 C14 C13 113.29(19) . . ? 
C15 C14 H14A 108.9 . . ? 
C13 C14 H14A 108.9 . . ? 
C15 C14 H14B 108.9 . . ? 
C13 C14 H14B 108.9 . . ? 
H14A C14 H14B 107.7 . . ? 
C16 C15 C14 113.68(19) . . ? 
C16 C15 H15A 108.8 . . ? 
C14 C15 H15A 108.8 . . ? 
C16 C15 H15B 108.8 . . ? 
C14 C15 H15B 108.8 . . ? 
H15A C15 H15B 107.7 . . ? 
C15 C16 C17 113.14(19) . . ? 
C15 C16 H16A 109.0 . . ? 
C17 C16 H16A 109.0 . . ? 
C15 C16 H16B 109.0 . . ? 
C17 C16 H16B 109.0 . . ? 
H16A C16 H16B 107.8 . . ? 
C18 C17 C16 113.41(19) . . ? 
C18 C17 H17A 108.9 . . ? 
C16 C17 H17A 108.9 . . ? 
C18 C17 H17B 108.9 . . ? 
C16 C17 H17B 108.9 . . ? 
H17A C17 H17B 107.7 . . ? 
C17 C18 C19 113.18(19) . . ? 
C17 C18 H18A 108.9 . . ? 
C19 C18 H18A 108.9 . . ? 
C17 C18 H18B 108.9 . . ? 
C19 C18 H18B 108.9 . . ? 
H18A C18 H18B 107.8 . . ? 
C18 C19 C20 114.18(19) . . ? 
C18 C19 H19A 108.7 . . ? 
C20 C19 H19A 108.7 . . ? 
C18 C19 H19B 108.7 . . ? 
C20 C19 H19B 108.7 . . ? 
H19A C19 H19B 107.6 . . ? 
C21 C20 C19 112.89(19) . . ? 
C21 C20 H20A 109.0 . . ? 
C19 C20 H20A 109.0 . . ? 
C21 C20 H20B 109.0 . . ? 
C19 C20 H20B 109.0 . . ? 
H20A C20 H20B 107.8 . . ? 
C22 C21 C20 113.60(19) . . ? 
C22 C21 H21A 108.8 . . ? 
C20 C21 H21A 108.8 . . ? 
C22 C21 H21B 108.8 . . ? 
C20 C21 H21B 108.8 . . ? 
H21A C21 H21B 107.7 . . ? 
C21 C22 C23 112.40(19) . . ? 
C21 C22 H22A 109.1 . . ? 
C23 C22 H22A 109.1 . . ? 
C21 C22 H22B 109.1 . . ? 
C23 C22 H22B 109.1 . . ? 
H22A C22 H22B 107.9 . . ? 
C24 C23 C22 112.71(19) . . ? 
C24 C23 H23A 109.0 . . ? 
C22 C23 H23A 109.0 . . ? 
C24 C23 H23B 109.0 . . ? 
C22 C23 H23B 109.0 . . ? 
H23A C23 H23B 107.8 . . ? 
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 . . ? 
N1 C25 C26 125.1(2) . . ? 
N1 C25 H25 117.5 . . ? 
C26 C25 H25 117.5 . . ? 
C25 C26 C3 119.7(2) . . ? 
C25 C26 H26 120.2 . . ? 
C3 C26 H26 120.2 . . ? 
C4 C27 C28 118.1(2) . . ? 
C4 C27 H27 121.0 . . ? 
C28 C27 H27 121.0 . . ? 
N2 C28 O2 118.5(2) . . ? 
N2 C28 C27 124.7(2) . . ? 
O2 C28 C27 116.8(2) . . ? 
O2 C29 H29A 109.5 . . ? 
O2 C29 H29B 109.5 . . ? 
H29A C29 H29B 109.5 . . ? 
O2 C29 H29C 109.5 . . ? 
H29A C29 H29C 109.5 . . ? 
H29B C29 H29C 109.5 . . ? 
C10 C30 C31 120.4(2) . . ? 
C10 C30 H30 119.8 . . ? 
C31 C30 H30 119.8 . . ? 
C30 C31 C7 121.1(2) . . ? 
C30 C31 H31 119.4 . . ? 
C7 C31 H31 119.4 . . ? 
 
_diffrn_measured_fraction_theta_max    0.984 
_diffrn_reflns_theta_full              25.00 
_diffrn_measured_fraction_theta_full   0.984 
_refine_diff_density_max    0.277 
_refine_diff_density_min   -0.326 
_refine_diff_density_rms    0.054 













# publcif red _publcif_info_exptl_table_extra_item loop start
loop_
_publcif_info_exptl_table_extra_item
?

# publcif red _publcif_info_exptl_table_extra_item loop end



# publcif red _publcif_info_exptl_table_header_item loop start
loop_
_publcif_info_exptl_table_header_item
?

# publcif red _publcif_info_exptl_table_header_item loop end
_publcif_info_exptl_table_max_cols 6

# publcif red _publcif_info_datablock.id loop start
loop_
_publcif_info_datablock.id
_publcif_info_datablock.publ_exptl
_publcif_info_datablock.publ_geom
_publcif_info_datablock.structure

 red y y y
# publcif red _publcif_info_datablock.id loop end

