2-Azido-2-deoxy-2,4-<i>C</i>-dimethyl-3,4-<i>O</i>-isopropylidene-<small>L</small>-ribono-1,5-lactone
Booth, Kathrine V.; Watkin, David J.; Jenkinson, Sarah F.; Fleet, George W. J.; Acta Crystallographica Section E 63 (2007) o1759–o1760; doi:10.1107/S1600536807010598

data_2212865
_publ_section_title
2-Azido-2-deoxy-2,4-<i>C</i>-dimethyl-3,4-<i>O</i>-isopropylidene-<small>L</small>-ribono-1,5-lactone
_journal_coeditor_code           FL2104
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o1759
_journal_page_last               o1760
_journal_paper_doi               10.1107/S1600536807010598
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          'C10 H15 N3 O4'
_chemical_formula_moiety         'C10 H15 N3 O4'
_chemical_formula_sum            'C10 H15 N3 O4'
_chemical_formula_weight         241.25
_chemical_name_systematic
;
2-Azido-2-deoxy-2,4-<i>C</i>-dimethyl-3,4-<i>O</i>-isopropylidene-L-ribono-
1,5-lactone
;
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_symmetry_space_group_name_Hall  'P 2ac 2ab'
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_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
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_cell_angle_beta                 90
_cell_angle_gamma                90
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_cell_length_a                   6.21650(10)
_cell_length_b                   9.7821(2)
_cell_length_c                   19.3880(5)
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_cell_measurement_temperature    150
_cell_measurement_theta_max      27
_cell_measurement_theta_min      5
_cell_volume                     1178.99(4)
_computing_cell_refinement
'DENZO and SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2001)'
_computing_data_reduction        'DENZO and SCALEPACK'
_computing_molecular_graphics    'CAMERON (Watkin <i>et al.</i>,  1996)'
_computing_publication_material  CRYSTALS
_computing_structure_refinement  'CRYSTALS (Betteridge <i>et al.</i>,  2003)'
_computing_structure_solution    'SIR92 (Altomare <i>et al.</i>,  1994)'
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Nonius KappaCCD area-detector'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
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_diffrn_reflns_theta_full        26.860
_diffrn_reflns_theta_max         27.408
_diffrn_reflns_theta_min         5.228
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.106
_exptl_absorpt_correction_T_max  0.99
_exptl_absorpt_correction_T_min  0.90
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'DENZO and SCALEPACK (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.359
_exptl_crystal_description       plate
_exptl_crystal_F_000             512
_exptl_crystal_size_max          0.50
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_refine_diff_density_min         -0.21
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_refine_ls_shift/su_max          0.000294
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(F^2^) + (0.04P)^2^ + 0.14P], where P=[max(Fo^2^,0) + 2Fc^2^]/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0732
_refine_ls_wR_factor_gt          0.0698
_refine_ls_wR_factor_ref         0.0732
_reflns_number_gt                1279
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_reflns_threshold_expression     I>2\s(I)
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_cod_database_code               2212865
_cod_database_fobs_code          2212865