<i>N</i>^{η^}-Nitro-<small>L</small>-arginine methyl ester hydrochloride
Okabe, N.; Ikeda, K.; Kohyama, Y.; Acta Crystallographica Section C 50 (1994) 2088–2089; doi:10.1107/S0108270194004609

data_2010243
_publ_section_title
;
 <i>N</i>^{\h^}-Nitro-<small>L</small>-arginine methyl ester
 hydrochloride
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2088
_journal_page_last               2089
_journal_paper_doi               10.1107/S0108270194004609
_journal_volume                  50
_journal_year                    1994
_chemical_formula_moiety         'C7 H16 Cl1 N5 O4'
_chemical_formula_sum            'C7 H16 Cl N5 O4'
_chemical_formula_weight         269.69
_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'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 103.03(2)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   5.4400(10)
_cell_length_b                   10.1080(10)
_cell_length_c                   11.484(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      16.45
_cell_measurement_theta_min      15.15
_cell_volume                     615.22(17)
_diffrn_measurement_device       'Riguku AFC5R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.028
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            1634
_diffrn_reflns_theta_max         27.5
_diffrn_standards_decay_%        -0.13
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.320
_exptl_absorpt_correction_T_max  1.23
_exptl_absorpt_correction_T_min  0.78
_exptl_absorpt_correction_type   'empirical (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.456
_exptl_crystal_density_meas      1.448(3)
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.26
_refine_diff_density_min         -0.36
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.58
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     153
_refine_ls_number_reflns         903
_refine_ls_R_factor_obs          0.048
_refine_ls_shift/esd_max         0.003
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=4F~o~^2^/\s^2^(F~o~^2^)
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.052
_reflns_number_observed          903
_reflns_number_total             1485
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            as1106.cif
_cod_data_source_block           as1106a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w=4F~o~^2^/\s^2^(F~o~^2^)' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=4F~o~^2^/\s^2^(F~o~^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        615.2(3)
_cod_original_sg_symbol_Hall     'P 2y1'
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C7 H16 Cl1 N5 O4'
_cod_database_code               2010243