Chiral <i>N</i>-(6-Amino-3-pyridyl)-<i>N</i>'-bicycloalkyl-<i>N</i>''-cyanoguanidine Derivative: a Novel Potassium-Channel Opener
Saito, H.; Eda, M.; Sugio, S.; Ueda, Y.; Acta Crystallographica Section C 51 (1995) 2331–2333; doi:10.1107/S010827019500031X

data_2004172
_publ_section_title
;Chiral
 <i>N</i>-(6-Amino-3-pyridyl)-<i>N</i>'-bicycloalkyl-<i>N</i>''-cyanoguanidine
 Derivative: a Novel Potassium-Channel Opener
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2331
_journal_page_last               2333
_journal_paper_doi               10.1107/S010827019500031X
_journal_volume                  51
_journal_year                    1995
_chemical_formula_moiety         'C16 H21 N7'
_chemical_formula_sum            'C16 H21 N7'
_chemical_formula_weight         311.39
_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                 99.755(8)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.427(1)
_cell_length_b                   7.197(1)
_cell_length_c                   11.805(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      29.85
_cell_measurement_theta_min      28.85
_cell_volume                     873.08(17)
_diffrn_measurement_device       'Rigaku AFC-7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.012
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1494
_diffrn_reflns_theta_max         60.05
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.610
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.8441
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.184
_exptl_crystal_description       prismatic
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.17
_refine_diff_density_min         -0.17
_refine_ls_extinction_coef       2.61694E-5
_refine_ls_extinction_method     secondary
_refine_ls_goodness_of_fit_obs   1.45
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     208
_refine_ls_number_reflns         1195
_refine_ls_R_factor_obs          0.045
_refine_ls_shift/esd_max         0.03
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/\s^2^(F)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.071
_reflns_number_observed          1195
_reflns_number_total             1419
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            oh1073.cif
_cod_data_source_block           oh1073a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/\s^2^(F)' was changed to
'calc'. New tag '_refine_ls_weighting_details' was created. The value
of the new tag was set to 'w = 1/\s^2^(F)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        873.0(2)
_cod_original_sg_symbol_Hall     'P 2y1'
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               2004172