Structures of <i>N</i>-benzyl- and <i>N</i>-cyclohexylmethyl-4-(diphenylacetoxy)piperidines
Barlow, R. B.; Howard, J. A. K.; Batsanov, A. S.; O'Shea, D.; Rathbone, D. L.; Acta Crystallographica Section C 49 (1993) 1502–1507; doi:10.1107/S0108270193000174

data_2001458
_publ_section_title
;
 Structures of <i>N</i>-benzyl- and
 <i>N</i>-cyclohexylmethyl-4-(diphenylacetoxy)piperidines
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1502
_journal_page_last               1507
_journal_paper_doi               10.1107/S0108270193000174
_journal_volume                  49
_journal_year                    1993
_chemical_formula_moiety         'C26 H34 N1 O2,Cl1'
_chemical_formula_sum            'C26 H34 Cl N O2'
_chemical_formula_weight         428
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 101.31(4)
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   5.833(3)
_cell_length_b                   35.11(2)
_cell_length_c                   11.828(6)
_cell_measurement_reflns_used    26
_cell_measurement_temperature    293
_cell_measurement_theta_max      24
_cell_measurement_theta_min      14
_cell_volume                     2375(2)
_diffrn_measurement_device       'Siemens R3m/V'
_diffrn_measurement_method       Wyckoff_(limited_\w)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.034
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2901
_diffrn_reflns_theta_max         45
_diffrn_standards_decay_%        1.3
_diffrn_standards_interval_count 100
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.182
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.20
_exptl_crystal_description       Plate
_exptl_crystal_size_max          0.5
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.41
_refine_diff_density_min         -0.26
_refine_ls_goodness_of_fit_obs   2.61
_refine_ls_hydrogen_treatment    'located by Fourier treated riding'
_refine_ls_number_parameters     267
_refine_ls_number_reflns         1737
_refine_ls_R_factor_obs          0.078
_refine_ls_shift/esd_max         0.084
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = [\s^2^(F)+0.0004F^2^]^-1^'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.090
_reflns_number_observed          1737
_reflns_number_total             2548
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            ha0113.cif
_cod_data_source_block           ha0113c_structure_3_of_3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '[\s^2^(F)+0.0004F^2^]^-1^' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
[\s^2^(F)+0.0004F^2^]^-1^'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2376(2)
_cod_original_formula_sum        'C26 H34 Cl1 N1 O2'
_cod_database_code               2001458