<i>N</i>-(5-Hydroxysalicylidène)-2,4,6-triméthylaniline
Tenon, J. A.; Carles, M.; Aycard, J.-P.; Acta Crystallographica Section C 51 (1995) 2603–2606; doi:10.1107/S0108270195007967

data_2004309
_publ_section_title
;
 <i>N</i>-(5-Hydroxysalicylid\`ene)-2,4,6-trim\'ethylaniline
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2603
_journal_page_last               2606
_journal_paper_doi               10.1107/S0108270195007967
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C16 H17 N O2'
_chemical_formula_weight         255.32
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 92.01(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.933(2)
_cell_length_b                   7.322(1)
_cell_length_c                   15.551(5)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293
_cell_measurement_theta_max      14.1
_cell_measurement_theta_min      9.7
_cell_volume                     1357.9(5)
_computing_cell_refinement
;
CAD-4
;
_computing_data_collection
;
CAD-4
;
_computing_data_reduction
;
CAD-4
;
_computing_molecular_graphics
;
ORTEP
;
_computing_structure_refinement
;
SDP-Plus
;
_computing_structure_solution
;
MULTAN 11/821
;
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.016
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2760
_diffrn_reflns_theta_max         26
_diffrn_standards_decay_%        0.1
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.076
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            jaune--marron
_exptl_crystal_density_diffrn    1.25
_exptl_crystal_description       prisme
_exptl_crystal_size_max          0.6
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.4
_refine_diff_density_max         0.027(2)
_refine_diff_density_min         -0.15(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.73
_refine_ls_hydrogen_treatment    'H atoms: see text'
_refine_ls_number_parameters     172
_refine_ls_number_reflns         1327
_refine_ls_R_factor_obs          0.041
_refine_ls_shift/esd_max         0.05
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.041
_reflns_number_observed          1327
_reflns_number_total             2554
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            pa1175.cif
_cod_data_source_block           pa1175a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value ' unit' changed to 'unit'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        1358.0(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2004309