<i>N</i>-[1-Phenyl-2(<i>R</i>)-propyl]-2-chloroadenosine. An Activating Agent of the Adenosine A2 Receptor
Das, A. K.; Bertolasi, V.; Acta Crystallographica Section C 51 (1995) 2408–2409; doi:10.1107/S0108270195004793

data_2004190
_publ_section_title
;
 <i>N</i>-[1-Phenyl-2(<i>R</i>)-propyl]-2-chloroadenosine. An
 Activating Agent of the Adenosine A2 Receptor
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              2408
_journal_page_last               2409
_journal_paper_doi               10.1107/S0108270195004793
_journal_volume                  51
_journal_year                    1995
_chemical_formula_sum            'C19 H22 Cl N5 O4'
_chemical_formula_weight         419.87
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_atom_type_scat_source           'SHELX76 (Sheldrick, 1976)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.346(2)
_cell_length_b                   12.305(1)
_cell_length_c                   14.327(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295
_cell_measurement_theta_max      14
_cell_measurement_theta_min      11
_cell_volume                     2000.2(4)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2712
_diffrn_reflns_theta_max         28
_diffrn_standards_decay_%        <0.1
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.223
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            transparent
_exptl_crystal_density_diffrn    1.39
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.38
_exptl_crystal_size_min          0.24
_refine_diff_density_max         0.18
_refine_diff_density_min         -0.22
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   0.57
_refine_ls_hydrogen_treatment    'H atoms refined isotropically'
_refine_ls_number_parameters     350
_refine_ls_number_reflns         2073
_refine_ls_R_factor_obs          0.0366
_refine_ls_shift/esd_max         0.0007
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.011F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0452
_reflns_number_observed          2073
_reflns_number_total             2712
_reflns_observed_criterion       F>6\s(F)
_cod_data_source_file            vj1015.cif
_cod_data_source_block           vj1015a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(F) + 0.011F^2^]'
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) +
0.011F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               2004190