Convenient synthesis of C-aza-2,3-dideoxynucleosides
Momotake, Atsuya; Togo, Hideo; Yokoyama, Masataka; Journal of the Chemical Society, Perkin Transactions 1  (1999) 1193–; doi:10.1039/a900689c

data_7213026
_publ_section_title
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 Convenient synthesis of C-aza-2,3-dideoxynucleosides
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_journal_issue                   9
_journal_name_full
'Journal of the Chemical Society, Perkin Transactions 1'
_journal_page_first              1193
_journal_paper_doi               10.1039/a900689c
_journal_year                    1999
_chemical_formula_sum            'C9 H14 Cl N3 O3'
_chemical_formula_weight         247.68
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             'Mon Feb  1 13:15:38 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 109.322(5)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.741(1)
_cell_length_b                   7.2000(7)
_cell_length_c                   24.483(2)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      20.7
_cell_measurement_theta_min      19.2
_cell_volume                     2285.8(3)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      296.2
_diffrn_measurement_device_type  'Rigaku AFC7S'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.01444
_diffrn_orient_matrix_UB_12      0.13607
_diffrn_orient_matrix_UB_13      -0.00027
_diffrn_orient_matrix_UB_21      0.00053
_diffrn_orient_matrix_UB_22      0.01005
_diffrn_orient_matrix_UB_23      0.04084
_diffrn_orient_matrix_UB_31      0.07575
_diffrn_orient_matrix_UB_32      -0.02596
_diffrn_orient_matrix_UB_33      0.01434
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku sealed tube'
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.021
_diffrn_reflns_av_sigmaI/netI    0.023
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            3859
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         67.57
_diffrn_reflns_theta_min         3.83
_diffrn_standards_decay_%        -0.66
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.973
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.439
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1040.00
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.020
_refine_diff_density_max         0.91
_refine_diff_density_min         -0.47
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   4.318
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     150
_refine_ls_number_reflns         3612
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0672
_refine_ls_R_factor_gt           0.0672
_refine_ls_shift/su_max          0.4980
_refine_ls_shift/su_mean         0.0770
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00000|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0953
_refine_ls_wR_factor_ref         0.0953
_reflns_number_gt                3578
_reflns_number_total             1848
_reflns_threshold_expression     >2.0sigma(I)
_cod_data_source_file            900689csup1.cif
_cod_data_source_block           9808mmt
_cod_depositor_comments
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The following automatic conversions were performed:
'_reflns_observed_expression' tag replaced with
'_reflns_threshold_expression' tag as specified in the replacement
file
'cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst'.

'_atom_site_calc_flags'
tag replaced with '_atom_site_calc_flag' tag as specified in the
replacement file
'cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst'.

'_atom_type_scat_imag'
tag replaced with '_atom_type_scat_dispersion_imag' tag as specified
in the replacement file
'cod-tools/trunk/perl-scripts/inputs/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 3137 2015-03-23 15:08:43Z antanas 
;
_cod_original_sg_symbol_H-M      'C 2/c        '
_cod_original_formula_sum        'C9 H14 Cl N3 O3 '
_cod_database_code               7213026