<i>N</i>-(1-Adamantyl)acetamide
Mizoguchi, Jun-ichi; Miyaki Takayuki; Kashino, Setsuo; Acta Crystallographica Section C 53 (1997) IUC9700024–; doi:10.1107/S0108270197099319

data_2006720
_publ_section_title
;
 <i>N</i>-(1-Adamantyl)acetamide
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              IUC9700024
_journal_paper_doi               10.1107/S0108270197099319
_journal_volume                  53
_journal_year                    1997
_chemical_formula_iupac          'C12 H19 N O'
_chemical_formula_moiety         'C12 H19 N O'
_chemical_formula_sum            'C12 H19 N O'
_chemical_formula_weight         193.29
_chemical_name_systematic        ' N-(1-Adamantyl)acetamide'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.0
_cell_angle_beta                 91.27(4)
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   24.778(9)
_cell_length_b                   9.442(3)
_cell_length_c                   9.537(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      11.0
_cell_measurement_theta_min      9.5
_cell_volume                     2230.7(18)
_diffrn_measurement_device       'Rigaku AFC-5R'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.023
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2736
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        1.4
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.072
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.151
_exptl_crystal_density_meas      1.14
_exptl_crystal_density_method    'flotation in KI aqueous solution'
_exptl_crystal_description       plate
_exptl_crystal_F_000             848
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.21
_refine_diff_density_min         -0.16
_refine_ls_extinction_coef       0.266E-5
_refine_ls_extinction_method     I~corr~=I~o~(1+gI~c~)
_refine_ls_goodness_of_fit_ref   1.25
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     204
_refine_ls_number_reflns         1635
_refine_ls_R_factor_gt           0.057
_refine_ls_shift/su_max          0.06
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/\s^2^(F)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.054
_reflns_number_gt                1635
_reflns_number_total             2574
_reflns_threshold_expression     I>1.5\s(I)
_cod_data_source_file            qa0021.cif
_cod_data_source_block           I
_cod_original_cell_volume        2231(2)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2006720