2',3'-Didehydro-2',3'-dideoxy-5-hydroxymethyluridine
Pugazhenthi, U.; Delbaere, L. T. J.; Kumar, S. V. P.; Stuart, A. L.; Gupta, S. V.; Acta Crystallographica Section C 50 (1994) 1262–1265; doi:10.1107/S0108270193013381

data_2009940
_publ_section_title
;
 2',3'-Didehydro-2',3'-dideoxy-5-hydroxymethyluridine
;
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1262
_journal_page_last               1265
_journal_paper_doi               10.1107/S0108270193013381
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C10 H12 N2 O5'
_chemical_formula_weight         240.14
_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           IntTabIV
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.0862(5)
_cell_length_b                   8.0018(8)
_cell_length_c                   26.067(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    287
_cell_measurement_theta_max      45
_cell_measurement_theta_min      19
_cell_volume                     1060.89(19)
_diffrn_measurement_device       CAD4
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.024
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -2
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            1676
_diffrn_reflns_theta_max         75
_diffrn_standards_decay_%        0.9853
_diffrn_standards_interval_time  5000s
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.99
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.504
_exptl_crystal_description       Plates
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.025
_refine_diff_density_max         0.382
_refine_diff_density_min         -0.249
_refine_ls_extinction_coef       0.230
_refine_ls_extinction_method     'Larson (1970)'
_refine_ls_goodness_of_fit_obs   3.489
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     156
_refine_ls_number_reflns         1315
_refine_ls_R_factor_obs          0.040
_refine_ls_shift/esd_max         0.196
_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         0.039
_reflns_number_observed          1315
_reflns_number_total             1315
_reflns_observed_criterion       F>?
_cod_data_source_file            cd1065.cif
_cod_data_source_block           cd1065_structure_1_of_1
_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        1060.9(2)
_cod_database_code               2009940