data_tt1024 
 
_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
 ? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C13 H21 N O' 
_chemical_formula_weight          207.31 
_chemical_melting_point           ? 
_chemical_compound_source         ? 
 
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            orthorhombic
_symmetry_space_group_name_H-M    Fdd2 
 
loop_ 
 _symmetry_equiv_pos_as_xyz 
 'x, y, z' 
 '-x, -y, z' 
 'x+1/4, -y+1/4, z+1/4' 
 '-x+1/4, y+1/4, z+1/4' 
 'x, y+1/2, z+1/2' 
 '-x, -y+1/2, z+1/2' 
 'x+1/4, -y+3/4, z+3/4' 
 '-x+1/4, y+3/4, z+3/4' 
 'x+1/2, y, z+1/2' 
 '-x+1/2, -y, z+1/2' 
 'x+3/4, -y+1/4, z+3/4' 
 '-x+3/4, y+1/4, z+3/4' 
 'x+1/2, y+1/2, z' 
 '-x+1/2, -y+1/2, z' 
 'x+3/4, -y+3/4, z+1/4' 
 '-x+3/4, y+3/4, z+1/4' 
 
_cell_length_a                    20.4759(12) 
_cell_length_b                    22.0944(12) 
_cell_length_c                    11.4430(4) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  90.00 
_cell_angle_gamma                 90.00 
_cell_volume                      5176.8(5) 
_cell_formula_units_Z             16 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     ? 
_cell_measurement_theta_min       ? 
_cell_measurement_theta_max       ? 
 
_exptl_crystal_description        quader 
_exptl_crystal_colour             colourless 
_exptl_crystal_size_max           0.4 
_exptl_crystal_size_mid           0.2 
_exptl_crystal_size_min           0.2 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.064 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              1824 
_exptl_absorpt_coefficient_mu     0.066 
_exptl_absorpt_correction_type    ? 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 
 
_exptl_special_details 
; 
 ? 
; 
 
_diffrn_ambient_temperature       183(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        KAPPA-CCD 
_diffrn_measurement_method        'phi-scan, omega-scan' 
_diffrn_standards_number          ? 
_diffrn_standards_interval_count  ? 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             1376 
_diffrn_reflns_av_R_equivalents   0.0000 
_diffrn_reflns_av_sigmaI/netI     0.0299 
_diffrn_reflns_limit_h_min        0 
_diffrn_reflns_limit_h_max        25 
_diffrn_reflns_limit_k_min        0 
_diffrn_reflns_limit_k_max        27 
_diffrn_reflns_limit_l_min        0 
_diffrn_reflns_limit_l_max        13 
_diffrn_reflns_theta_min          3.44 
_diffrn_reflns_theta_max          26.41 
_reflns_number_total              1376 
_reflns_number_observed           1253 
_reflns_observed_criterion        >2sigma(I) 
 
_computing_data_collection        DENZO 
_computing_cell_refinement        DENZO 
_computing_data_reduction         DENZO 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     XPMA 
_computing_publication_material   XP 
 
_refine_special_details 
; 
 Refinement on F^2^ for ALL reflections except for 5 with very 
negative F^2^ 
 or flagged by the user for potential systematic errors.  Weighted R-
factors 
 wR and all goodnesses of fit S are based on F^2^, conventional R-
factors R 
 are based on F, with F set to zero for negative F^2^. The observed 
criterion 
 of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 
etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors 
based 
 on F^2^ 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 w=1/[\s^2^(Fo^2^)+(0.0747P)^2^+4.0404P] where P=(Fo^2^+2Fc^2^)/3' 
_atom_sites_solution_primary      direct 
_atom_sites_solution_secondary    difmap 
_atom_sites_solution_hydrogens    geom 
_refine_ls_hydrogen_treatment     ? 
_refine_ls_extinction_method      none 
_refine_ls_extinction_coef        ? 
_refine_ls_abs_structure_details 
 'Flack H D (1983), Acta Cryst. A39, 876-881' 
_refine_ls_abs_structure_Flack    -2.05(355) 
_refine_ls_number_reflns          1371 
_refine_ls_number_parameters      230 
_refine_ls_number_restraints      1 
_refine_ls_R_factor_all           0.0634 
_refine_ls_R_factor_obs           0.0562 
_refine_ls_wR_factor_all          0.1547 
_refine_ls_wR_factor_obs          0.1395 
_refine_ls_goodness_of_fit_all    1.081 
_refine_ls_goodness_of_fit_obs    1.102 
_refine_ls_restrained_S_all       1.159 
_refine_ls_restrained_S_obs       1.102 
_refine_ls_shift/esd_max          -0.005 
_refine_ls_shift/esd_mean         0.001 
 
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_thermal_displace_type 
 _atom_site_occupancy 
 _atom_site_calc_flag 
 _atom_site_refinement_flags 
 _atom_site_disorder_group 
N1 N 0.0151(5) 0.2668(6) 0.5926(10) 0.043(2) Uani 0.514(9) d P 1 
C1 C 0.0376(8) 0.2758(11) 0.4784(15) 0.055(4) Uani 0.486(9) d P 1 
H1 H 0.0326(8) 0.2499(11) 0.4150(15) 0.058(13) Uiso 0.514(9) calc PR 
1 
C2 C 0.0697(5) 0.3326(5) 0.4796(7) 0.058(2) Uani 0.514(9) d P 1 
H2 H 0.0869(5) 0.3517(5) 0.4140(7) 0.058(13) Uiso 0.514(9) calc PR 1 
C3 C 0.0721(3) 0.3581(3) 0.6021(5) 0.047(2) Uani 0.514(9) d P 1 
C4 C 0.0219(4) 0.3185(3) 0.6637(6) 0.044(2) Uani 0.514(9) d P 1 
C5 C 0.1378(3) 0.3538(3) 0.6617(6) 0.059(2) Uani 0.514(9) d P 1 
H5A H 0.1682(3) 0.3799(3) 0.6204(6) 0.060(13) Uiso 0.514(9) calc PR 1 
H5B H 0.1334(3) 0.3696(3) 0.7404(6) 0.060(13) Uiso 0.514(9) calc PR 1 
C6 C 0.1677(7) 0.2905(10) 0.6691(20) 0.087(7) Uani 0.486(9) d P 1 
H6A H 0.2090(7) 0.2926(10) 0.7088(20) 0.145(28) Uiso 0.514(9) calc PR 
1 
H6B H 0.1742(7) 0.2748(10) 0.5917(20) 0.145(28) Uiso 0.514(9) calc PR 
1 
H6C H 0.1388(7) 0.2643(10) 0.7115(20) 0.145(28) Uiso 0.514(9) calc PR 
1 
C7 C 0.0482(10) 0.4234(7) 0.6071(20) 0.105(8) Uani 0.514(9) d P 1 
H7A H 0.0078(16) 0.4269(8) 0.5649(40) 0.071(11) Uiso 0.514(9) calc PR 
1 
H7B H 0.0803(15) 0.4495(7) 0.5726(47) 0.071(11) Uiso 0.514(9) calc PR 
1 
H7C H 0.0413(27) 0.4349(11) 0.6871(19) 0.071(11) Uiso 0.514(9) calc 
PR 1 
O1 O 0.0071(4) 0.3196(3) 0.7684(5) 0.060(2) Uani 0.514(9) d P 1 
N1X N -0.0040(5) 0.2792(6) 0.5808(12) 0.043(2) Uani 0.486(9) d P 2 
C1X C 0.0351(11) 0.2899(10) 0.4736(13) 0.070(6) Uani 0.514(9) d P 2 
H1X H 0.0185(11) 0.2816(10) 0.3997(13) 0.071(11) Uiso 0.486(9) calc 
PR 2 
C2X C 0.0966(4) 0.3127(5) 0.4887(7) 0.049(2) Uani 0.486(9) d P 2 
H2X H 0.1267(4) 0.3184(5) 0.4288(7) 0.071(11) Uiso 0.486(9) calc PR 2 
C3X C 0.1089(3) 0.3272(3) 0.6149(5) 0.038(2) Uani 0.486(9) d P 2 
C4X C 0.0503(4) 0.2960(4) 0.6730(6) 0.045(2) Uani 0.486(9) d P 2 
C5X C 0.1075(3) 0.3953(3) 0.6427(6) 0.053(2) Uani 0.486(9) d P 2 
H5C H 0.1129(3) 0.4004(3) 0.7263(6) 0.064(14) Uiso 0.486(9) calc PR 2 
H5D H 0.1447(3) 0.4143(3) 0.6049(6) 0.064(14) Uiso 0.486(9) calc PR 2 
C6X C 0.0457(6) 0.4286(7) 0.6051(13) 0.063(5) Uani 0.486(9) d P 2 
H6D H 0.0498(12) 0.4708(8) 0.6239(49) 0.082(16) Uiso 0.486(9) calc PR 
2 
H6E H 0.0088(6) 0.4119(19) 0.6454(42) 0.082(16) Uiso 0.486(9) calc PR 
2 
H6F H 0.0397(18) 0.4240(25) 0.5224(15) 0.082(16) Uiso 0.486(9) calc 
PR 2 
C7X C 0.1688(8) 0.2993(9) 0.6606(17) 0.081(6) Uani 0.514(9) d P 2 
H7D H 0.1691(14) 0.3021(23) 0.7443(16) 0.074(16) Uiso 0.486(9) calc 
PR 2 
H7E H 0.2061(8) 0.3200(17) 0.6294(37) 0.074(16) Uiso 0.486(9) calc PR 
2 
H7F H 0.1702(15) 0.2575(11) 0.6378(43) 0.074(16) Uiso 0.486(9) calc 
PR 2 
O1X O 0.0381(4) 0.2964(4) 0.7774(4) 0.066(2) Uani 0.486(9) d P 2 
C8 C -0.04515(15) 0.22909(12) 0.6127(2) 0.0472(7) Uani 1 d . . 
H8 H -0.05309(15) 0.23169(12) 0.6970(2) 0.075(11) Uiso 1 d R . 
C9 C -0.1088(2) 0.2428(2) 0.5500(5) 0.0833(13) Uani 1 d . . 
H9A H -0.1007(2) 0.2452(2) 0.4666(5) 0.108(5) Uiso 1 d R . 
H9B H -0.1256(2) 0.2817(2) 0.5756(5) 0.108(5) Uiso 1 d R . 
C10 C -0.1606(2) 0.1924(3) 0.5764(6) 0.113(2) Uani 1 d . . 
H10A H -0.1980(2) 0.1991(3) 0.5262(6) 0.108(5) Uiso 1 d R . 
H10B H -0.1752(2) 0.1958(3) 0.6567(6) 0.108(5) Uiso 1 d R . 
C11 C -0.1349(2) 0.1305(2) 0.5550(5) 0.0932(14) Uani 1 d . . 
H11A H -0.1668(2) 0.1015(2) 0.5830(5) 0.108(5) Uiso 1 d R . 
H11B H -0.1291(2) 0.1239(2) 0.4718(5) 0.108(5) Uiso 1 d R . 
C12 C -0.07403(12) 0.11928(11) 0.6163(3) 0.0757(11) Uani 1 d . . 
H12A H -0.05798(12) 0.07938(11) 0.5957(3) 0.108(5) Uiso 1 d R . 
H12B H -0.08140(12) 0.11983(11) 0.7000(3) 0.108(5) Uiso 1 d R . 
C13 C -0.02347(12) 0.16573(11) 0.5848(3) 0.0566(8) Uani 1 d R . 
H13A H -0.01333(12) 0.16307(11) 0.5022(3) 0.108(5) Uiso 1 d R . 
H13B H 0.01606(12) 0.15671(11) 0.6282(3) 0.108(5) Uiso 1 d R . 
 
loop_ 
 _atom_site_aniso_label 
 _atom_site_aniso_U_11 
 _atom_site_aniso_U_22 
 _atom_site_aniso_U_33 
 _atom_site_aniso_U_23 
 _atom_site_aniso_U_13 
 _atom_site_aniso_U_12 
N1 0.052(5) 0.053(6) 0.026(4) 0.004(3) -0.001(4) -0.018(4) 
C1 0.078(7) 0.046(8) 0.042(6) -0.002(4) 0.024(5) -0.032(5) 
C2 0.076(6) 0.072(6) 0.027(3) 0.010(3) 0.000(4) -0.038(5) 
C3 0.061(4) 0.044(3) 0.035(3) 0.000(2) 0.000(2) -0.011(3) 
C4 0.055(4) 0.042(3) 0.035(3) 0.001(2) -0.004(3) 0.000(3) 
C5 0.056(4) 0.067(5) 0.054(4) -0.007(3) -0.004(3) -0.014(4) 
C6 0.046(7) 0.097(12) 0.118(15) 0.001(8) -0.017(7) 0.045(7) 
C7 0.150(15) 0.038(6) 0.128(16) 0.015(8) 0.010(11) -0.021(7) 
O1 0.072(4) 0.070(3) 0.036(3) -0.011(2) 0.012(3) -0.005(3) 
N1X 0.051(6) 0.049(5) 0.028(3) 0.006(3) -0.012(4) -0.009(4) 
C1X 0.134(11) 0.062(12) 0.016(4) 0.004(4) -0.009(5) -0.044(6) 
C2X 0.044(4) 0.076(6) 0.027(3) 0.002(3) 0.002(3) -0.007(3) 
C3X 0.040(3) 0.040(3) 0.033(3) 0.002(2) -0.003(2) -0.007(3) 
C4X 0.058(4) 0.048(4) 0.031(3) 0.006(3) -0.002(3) -0.014(3) 
C5X 0.057(4) 0.047(4) 0.056(4) -0.001(3) -0.004(3) -0.005(3) 
C6X 0.054(6) 0.056(7) 0.080(9) -0.011(6) -0.028(6) 0.022(5) 
C7X 0.102(12) 0.071(8) 0.070(8) -0.009(6) -0.013(7) -0.023(8) 
O1X 0.087(5) 0.090(5) 0.022(2) -0.002(3) 0.009(3) -0.033(4) 
C8 0.059(2) 0.0487(14) 0.0341(13) -0.0013(11) 0.0074(12) -0.0132(13) 
C9 0.070(2) 0.080(2) 0.100(3) 0.031(2) 0.010(2) 0.026(2) 
C10 0.035(2) 0.187(6) 0.116(4) 0.051(4) 0.002(2) -0.010(3) 
C11 0.094(3) 0.104(3) 0.082(3) 0.009(3) -0.004(2) -0.046(3) 
C12 0.101(3) 0.056(2) 0.070(2) 0.004(2) 0.007(2) -0.023(2) 
C13 0.057(2) 0.053(2) 0.060(2) 0.0095(14) -0.0001(14) 0.0025(13) 
 
_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 
N1 C1 1.40(2) . ? 
N1 C4 1.41(2) . ? 
N1 C8 1.506(13) . ? 
C1 C2 1.42(2) . ? 
C1 H1 0.93 . ? 
C2 C3 1.511(10) . ? 
C2 H2 0.93 . ? 
C3 C7 1.52(2) . ? 
C3 C5 1.513(10) . ? 
C3 C4 1.523(8) . ? 
C4 O1 1.237(8) . ? 
C5 C6 1.53(2) . ? 
C5 H5A 0.97 . ? 
C5 H5B 0.97 . ? 
C6 H6A 0.96 . ? 
C6 H6B 0.96 . ? 
C6 H6C 0.96 . ? 
C7 H7A 0.96 . ? 
C7 H7B 0.96 . ? 
C7 H7C 0.96 . ? 
N1X C8 1.438(14) . ? 
N1X C1X 1.48(2) . ? 
N1X C4X 1.577(14) . ? 
C1X C2X 1.37(2) . ? 
C1X H1X 0.93 . ? 
C2X C3X 1.501(10) . ? 
C2X H2X 0.93 . ? 
C3X C7X 1.47(2) . ? 
C3X C4X 1.535(8) . ? 
C3X C5X 1.538(8) . ? 
C4X O1X 1.221(8) . ? 
C5X C6X 1.526(12) . ? 
C5X H5C 0.97 . ? 
C5X H5D 0.97 . ? 
C6X H6D 0.96 . ? 
C6X H6E 0.96 . ? 
C6X H6F 0.96 . ? 
C7X H7D 0.96 . ? 
C7X H7E 0.96 . ? 
C7X H7F 0.96 . ? 
C8 C13 1.503(4) . ? 
C8 C9 1.518(5) . ? 
C8 H8 0.98 . ? 
C9 C10 1.567(6) . ? 
C9 H9A 0.97 . ? 
C9 H9B 0.97 . ? 
C10 C11 1.485(8) . ? 
C10 H10A 0.97 . ? 
C10 H10B 0.97 . ? 
C11 C12 1.451(6) . ? 
C11 H11A 0.97 . ? 
C11 H11B 0.97 . ? 
C12 C13 1.50 . ? 
C12 H12A 0.97 . ? 
C12 H12B 0.97 . ? 
C13 H13A 0.97 . ? 
C13 H13B 0.97 . ? 
 
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 
C1 N1 C4 113.0(13) . . ? 
C1 N1 C8 119.4(12) . . ? 
C4 N1 C8 116.2(9) . . ? 
N1 C1 C2 105.7(15) . . ? 
N1 C1 H1 127.2(11) . . ? 
C2 C1 H1 127.2(8) . . ? 
C1 C2 C3 110.7(9) . . ? 
C1 C2 H2 124.6(8) . . ? 
C3 C2 H2 124.6(3) . . ? 
C7 C3 C2 112.2(10) . . ? 
C7 C3 C5 109.1(10) . . ? 
C2 C3 C5 115.1(7) . . ? 
C7 C3 C4 108.1(9) . . ? 
C2 C3 C4 101.2(5) . . ? 
C5 C3 C4 110.9(5) . . ? 
O1 C4 N1 123.5(7) . . ? 
O1 C4 C3 127.0(6) . . ? 
N1 C4 C3 105.4(7) . . ? 
C6 C5 C3 116.0(8) . . ? 
C6 C5 H5A 108.3(8) . . ? 
C3 C5 H5A 108.3(3) . . ? 
C6 C5 H5B 108.3(9) . . ? 
C3 C5 H5B 108.3(3) . . ? 
H5A C5 H5B 107.4 . . ? 
C5 C6 H6A 109.5(7) . . ? 
C5 C6 H6B 109.5(9) . . ? 
H6A C6 H6B 109.5 . . ? 
C5 C6 H6C 109.5(8) . . ? 
H6A C6 H6C 109.5 . . ? 
H6B C6 H6C 109.5 . . ? 
C3 C7 H7A 109.5(8) . . ? 
C3 C7 H7B 109.5(8) . . ? 
H7A C7 H7B 109.5 . . ? 
C3 C7 H7C 109.5(9) . . ? 
H7A C7 H7C 109.5 . . ? 
H7B C7 H7C 109.5 . . ? 
C8 N1X C1X 130.4(14) . . ? 
C8 N1X C4X 115.2(8) . . ? 
C1X N1X C4X 97.8(10) . . ? 
C2X C1X N1X 116.8(11) . . ? 
C2X C1X H1X 121.6(7) . . ? 
N1X C1X H1X 121.6(8) . . ? 
C1X C2X C3X 110.8(9) . . ? 
C1X C2X H2X 124.6(7) . . ? 
C3X C2X H2X 124.6(4) . . ? 
C7X C3X C2X 113.1(9) . . ? 
C7X C3X C4X 108.1(10) . . ? 
C2X C3X C4X 100.9(5) . . ? 
C7X C3X C5X 110.7(8) . . ? 
C2X C3X C5X 113.9(6) . . ? 
C4X C3X C5X 109.6(5) . . ? 
O1X C4X C3X 125.5(6) . . ? 
O1X C4X N1X 120.8(8) . . ? 
C3X C4X N1X 111.5(7) . . ? 
C6X C5X C3X 115.4(7) . . ? 
C6X C5X H5C 108.4(6) . . ? 
C3X C5X H5C 108.4(3) . . ? 
C6X C5X H5D 108.4(6) . . ? 
C3X C5X H5D 108.4(3) . . ? 
H5C C5X H5D 107.5 . . ? 
C5X C6X H6D 109.5(6) . . ? 
C5X C6X H6E 109.5(6) . . ? 
H6D C6X H6E 109.5 . . ? 
C5X C6X H6F 109.5(6) . . ? 
H6D C6X H6F 109.5 . . ? 
H6E C6X H6F 109.5 . . ? 
C3X C7X H7D 109.5(8) . . ? 
C3X C7X H7E 109.5(8) . . ? 
H7D C7X H7E 109.5 . . ? 
C3X C7X H7F 109.5(7) . . ? 
H7D C7X H7F 109.5 . . ? 
H7E C7X H7F 109.5 . . ? 
N1X C8 C13 119.3(6) . . ? 
C13 C8 N1 104.0(5) . . ? 
N1X C8 C9 103.3(4) . . ? 
C13 C8 C9 109.8(3) . . ? 
N1 C8 C9 121.4(4) . . ? 
N1X C8 H8 107.5(6) . . ? 
C13 C8 H8 108.20(15) . . ? 
N1 C8 H8 104.7(5) . . ? 
C9 C8 H8 108.1(2) . . ? 
C8 C9 C10 110.4(3) . . ? 
C8 C9 H9A 109.2(2) . . ? 
C10 C9 H9A 110.2(3) . . ? 
C8 C9 H9B 109.7(2) . . ? 
C10 C9 H9B 109.4(3) . . ? 
H9A C9 H9B 108.0 . . ? 
C11 C10 C9 112.5(3) . . ? 
C11 C10 H10A 108.9(3) . . ? 
C9 C10 H10A 108.1(2) . . ? 
C11 C10 H10B 109.8(3) . . ? 
C9 C10 H10B 109.6(3) . . ? 
H10A C10 H10B 107.8 . . ? 
C12 C11 C10 112.4(4) . . ? 
C12 C11 H11A 107.8(2) . . ? 
C10 C11 H11A 108.3(2) . . ? 
C12 C11 H11B 110.2(2) . . ? 
C10 C11 H11B 110.0(3) . . ? 
H11A C11 H11B 107.9 . . ? 
C11 C12 C13 111.1(2) . . ? 
C11 C12 H12A 109.2(2) . . ? 
C13 C12 H12A 109.2 . . ? 
C11 C12 H12B 110.0(2) . . ? 
C13 C12 H12B 109.6 . . ? 
H12A C12 H12B 107.7 . . ? 
C12 C13 C8 112.47(14) . . ? 
C12 C13 H13A 109.9 . . ? 
C8 C13 H13A 109.05(15) . . ? 
C12 C13 H13B 108.2 . . ? 
C8 C13 H13B 109.2(2) . . ? 
H13A C13 H13B 107.9 . . ? 
 
_refine_diff_density_max    0.129 
_refine_diff_density_min   -0.127 
_refine_diff_density_rms    0.026