Ethyl {[<i>N</i>-(2-Hydroxyethyl)amino](2-hydroxy-1-naphthyl)methyl}phosphonate
Tahir, M. N.; Ülkü, D.; Yilmaz, H.; Nazir, H.; Acta Crystallographica Section C 52 (1996) 3133–3135; doi:10.1107/S0108270196009304

data_2005702
_publ_section_title
;
 Ethyl
 {[<i>N</i>-(2-Hydroxyethyl)amino](2-hydroxy-1-naphthyl)methyl}phosphonate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              3133
_journal_page_last               3135
_journal_paper_doi               10.1107/S0108270196009304
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         'C15 H20 N O5 P'
_chemical_formula_sum            'C15 H20 N O5 P'
_chemical_formula_weight         325.30
_space_group_IT_number           14
_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                90.00
_cell_angle_beta                 92.47(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   6.990(3)
_cell_length_b                   13.887(4)
_cell_length_c                   16.389(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    294
_cell_measurement_theta_max      18.14
_cell_measurement_theta_min      10.13
_cell_volume                     1589.4(9)
_computing_data_collection       'CAD-4 EXPRESS (Enraf-Nonius, 1993)'
_computing_data_reduction        'MolEN (Fair, 1990)'
_computing_molecular_graphics    'MolEN version of ORTEPII (Johnson, 1976)'
_computing_publication_material  MolEN
_computing_structure_refinement  'LSFM MolEN'
_computing_structure_solution    'SIMPEL MolEN'
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.018
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            2932
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         2.68
_diffrn_standards_decay_%        -0.28
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.19
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.977
_exptl_absorpt_correction_type   'empirical via \y scans (MolEN; Fair, 1990)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.283
_refine_diff_density_min         -0.326
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.24
_refine_ls_number_parameters     199
_refine_ls_number_reflns         2036
_refine_ls_R_factor_obs          0.049
_refine_ls_shift/esd_max         0.0004
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.054
_reflns_number_observed          2036
_reflns_number_total             2680
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            ab1384.cif
_cod_data_source_block           hashmz2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'Unit weight' was changed to
'unit'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1589.4(8)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               2005702