<i>n</i>-Dodecylammonium Chloride
Silver, J.; Marsh, P. J.; Frampton, C. S.; Acta Crystallographica Section C 51 (1995) 2432–2434; doi:10.1107/S0108270195006858

data_2004094
_publ_section_title
;
 <i>n</i>-Dodecylammonium Chloride
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2432
_journal_page_last               2434
_journal_paper_doi               10.1107/S0108270195006858
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C12 H28 N , Cl '
_chemical_formula_sum            'C12 H28 Cl N'
_chemical_formula_weight         221.81
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.75(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.682(2)
_cell_length_b                   7.186(6)
_cell_length_c                   17.775(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294.2
_cell_measurement_theta_max      17.5
_cell_measurement_theta_min      15.3
_cell_volume                     724.9(7)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software
(Molecular Structure Corporation, 1988)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1993)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  TEXSAN
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      294.2
_diffrn_measurement_device       'Rigaku AFC-7R'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'RU200 Rigaku rotating Mo anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  2.25
_diffrn_reflns_av_sigmaI/netI    0.0281
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            1888
_diffrn_reflns_theta_max         26.99
_diffrn_reflns_theta_min         3.06
_diffrn_standards_decay_%        0.86
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.235
_exptl_absorpt_correction_T_max  0.978
_exptl_absorpt_correction_T_min  0.924
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   Tompa_analytical
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.016
_exptl_crystal_description       plate
_exptl_crystal_F_000             248.00
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.15
_refine_diff_density_min         -0.12
_refine_ls_abs_structure_Flack   0.12(15)
_refine_ls_extinction_coef       65.30354
_refine_ls_extinction_method     Zachariasen_type_2_Gaussian_isotropic
_refine_ls_goodness_of_fit_obs   1.928
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     239
_refine_ls_number_reflns         1299
_refine_ls_R_factor_obs          0.0350
_refine_ls_shift/esd_max         0.0001
_refine_ls_shift/esd_mean        0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_obs         0.0307
_reflns_number_observed          1299
_reflns_number_total             1718
_reflns_observed_criterion       >2.0\s(I)
_cod_data_source_file            bk1118.cif
_cod_data_source_block           bk1118
_cod_original_cell_volume        725.0(6)
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C12 H28 Cl1 N1'
_cod_database_code               2004094