Sodium 1-Naphthylamine-6-sulfonate‒Water (1/4)
Wang, J.-L.; Li, G.-P.; Zhang, L.-J.; Li, B.; Ma, S.-K.; Niu, Z.-C.; Miao, F.-M.; Acta Crystallographica Section C 52 (1996) 2476–2477; doi:10.1107/S0108270195004987

data_2005439
_publ_section_title
;
 Sodium 1-Naphthylamine-6-sulfonate--Water (1/4)
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2476
_journal_page_last               2477
_journal_paper_doi               10.1107/S0108270195004987
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C10 H16 N Na O7 S'
_chemical_formula_weight         317.30
_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
_cell_angle_beta                 95.64(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   28.787(4)
_cell_length_b                   8.619(3)
_cell_length_c                   11.623(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      10.96
_cell_measurement_theta_min      5.69
_cell_volume                     2869.9(16)
_diffrn_measurement_device       Enraf-Nonius
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.025
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            3079
_diffrn_reflns_theta_max         23
_diffrn_standards_decay_%        -3.98
_diffrn_standards_interval_count 400
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.2712
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.974
_exptl_absorpt_correction_type   'empirical, \y-scans'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.468
_exptl_crystal_density_meas      1.50
_exptl_crystal_density_method    pycnometry
_exptl_crystal_description       prism
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.329
_refine_diff_density_min         -0.297
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.815
_refine_ls_hydrogen_treatment
' H atom coordinates refined with B~iso~ = 4.0\%A^2^'
_refine_ls_number_parameters     231
_refine_ls_number_reflns         1163
_refine_ls_R_factor_obs          0.050
_refine_ls_shift/esd_max         0.02
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme
; w=0 if F~o~<=3\s(F~o~), w=1.0 if F~o~ < 48 and
  w=(48/F~o~)^2^ if F~o~ >= 48
;
_refine_ls_wR_factor_obs         0.058
_reflns_number_observed          1163
_reflns_number_total             2928
_reflns_observed_criterion       |F~o~|>3.0\s|F~o~|
_cod_data_source_file            ab1205.cif
_cod_data_source_block           ab1205a
_cod_original_cell_volume        2869.9(7)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_original_formula_sum        'C10 H16 N1 Na1 O7 S1'
_cod_database_code               2005439