Mannose Phenylhydrazone, an Acyclic Monosaccharide Derivative
Ojala, W. H.; Gleason, W. B.; Acta Crystallographica Section C 52 (1996) 3188–3190; doi:10.1107/S0108270196009882

data_2005717
_publ_section_title
;
 Mannose Phenylhydrazone, an Acyclic Monosaccharide Derivative
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              3188
_journal_page_last               3190
_journal_paper_doi               10.1107/S0108270196009882
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         'C12 H18 N2 O5 '
_chemical_formula_sum            'C12 H18 N2 O5'
_chemical_formula_weight         270.28
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_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_audit_creation_method           TEXSAN
_cell_angle_alpha                99.54(1)
_cell_angle_beta                 106.34(1)
_cell_angle_gamma                96.27(1)
_cell_formula_units_Z            1
_cell_length_a                   5.655(1)
_cell_length_b                   12.248(2)
_cell_length_c                   4.736(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    173
_cell_measurement_theta_max      25
_cell_measurement_theta_min      24
_cell_volume                     306.19(10)
_computing_cell_refinement       'MSC/AFC Diffractometer Control Software'
_computing_data_collection
;
MSC/AFC Diffractometer Control Software (Molecular Structure Corporation,
1988)
;
_computing_data_reduction
'TEXSAN (Molecular Structure Corporation, 1985)'
_computing_publication_material  TEXSAN
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_diffrn_ambient_temperature      173(2)
_diffrn_measurement_device       'Rigaku AFC6S'
_diffrn_measurement_method       '\w/2\q scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
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_diffrn_reflns_reduction_process TEXSAN
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_diffrn_reflns_theta_min         5
_diffrn_standards_decay_%        '<1% (no correction applied)'
_diffrn_standards_interval_count 150
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_exptl_absorpt_coefficient_mu    0.920
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.813
_exptl_absorpt_correction_type
'empirical, \y scans (North, Phillips & Mathews, 1968)'
_exptl_absorpt_process_details   psi-scans
_exptl_crystal_colour            colorless
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_exptl_crystal_density_meas      ?
_exptl_crystal_description       plate
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;
Zachariasen (1963) type 2 Gaussian isotropic
;
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_refine_ls_shift/esd_max         0.0020
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4Fo^2^/\s^2^(Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.033
_reflns_number_observed          2163
_reflns_number_total             2237
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            bk1257.cif
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_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 'w = 4Fo^2^/\s^2^(Fo^2^)' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
4Fo^2^/\s^2^(Fo^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        306.20(10)
_cod_original_sg_symbol_H-M      'P 1        '
_cod_original_formula_sum        'C12 H18 N2 O5 '
_cod_database_code               2005717