(3<i>R</i>*,4<i>R</i>*,5<i>S</i>*)-4-(4-Methylphenyl)-2,3-diphenyl-7-[(<i>R</i>*)-1-phenylethyl]-1-oxa-2,7-diazaspiro[4.5]decan-10-one oxime
Begum, G. Chanthini; Kumar, R. Suresh; Suresh, J.; Gopinathan, C.; Lakshman, P. L. Nilantha; Acta Crystallographica Section E 64 (2008) o590–; doi:10.1107/S1600536808004121

data_2217741
_publ_section_title
;(3<i>R</i>*,4<i>R</i>*,5<i>S</i>*)-4-(4-Methylphenyl)-2,3-diphenyl-7-[(<i>R</i>*)-1-phenylethyl]-1-oxa-2,7-diazaspiro[4.5]decan-10-one
 oxime
;
_journal_coeditor_code           CI2561
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o590
_journal_paper_doi               10.1107/S1600536808004121
_journal_volume                  64
_journal_year                    2008
_chemical_formula_iupac          'C34 H35 N3 O2'
_chemical_formula_moiety         'C34 H35 N3 O2'
_chemical_formula_sum            'C34 H35 N3 O2'
_chemical_formula_weight         517.65
_chemical_name_systematic
;
(3<i>R</i>*,4<i>R</i>*,5S*)-4-(4-Methylphenyl)-2,3-diphenyl-7-
[(<i>R</i>*)-1-phenylethyl]-1-oxa-2,7-diazaspiro[4.5]decan-10-one oxime
;
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.448(7)
_cell_length_b                   10.588(9)
_cell_length_c                   26.490(16)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      2
_cell_volume                     2930(4)
_computing_cell_refinement       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_collection       'CAD-4 EXPRESS (Enraf--Nonius, 1994)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1996)'
_computing_molecular_graphics    'PLATON (Spek, 2003)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Nonius MACH-3'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0492
_diffrn_reflns_av_sigmaI/netI    0.1667
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -1
_diffrn_reflns_number            3068
_diffrn_reflns_theta_full        25
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         2.07
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.073
_exptl_absorpt_correction_T_max  0.991
_exptl_absorpt_correction_T_min  0.986
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North <i>et al.</i>,  1968)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.173
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1104
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.152
_refine_diff_density_min         -0.174
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.955
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     355
_refine_ls_number_reflns         2933
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.955
_refine_ls_R_factor_all          0.2172
_refine_ls_R_factor_gt           0.0500
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         <0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0339P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0812
_refine_ls_wR_factor_ref         0.1192
_reflns_number_gt                1037
_reflns_number_total             2933
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ci2561.cif
_cod_data_source_block           I
_cod_database_code               2217741
_cod_database_fobs_code          2217741