Synthesis of a Reaction Intermediate Analogue of Biotin-Dependent Carboxylases via a Selective Derivatization of Biotin
Amspacher, David R.; Blanchard, Carol Z.; Fronczek, Frank R.; Saraiva, Marcelo C.; Waldrop, Grover L.; Strongin, Robert M.; Organic Letters 1 (1999) 99–; doi:10.1021/ol990026z

data_1507555
_publ_section_title
;
 Synthesis of a Reaction Intermediate Analogue of Biotin-Dependent
 Carboxylases via a Selective Derivatization of Biotin
;
_journal_issue                   1
_journal_name_full               'Organic Letters'
_journal_page_first              99
_journal_paper_doi               10.1021/ol990026z
_journal_volume                  1
_journal_year                    1999
_chemical_formula_moiety         C23H33N2O7PS
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_cell_angle_gamma                90
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_cell_length_b                   12.550(1)
_cell_length_c                   10.674(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    299
_cell_measurement_theta_max      42.9
_cell_measurement_theta_min      16.9
_cell_volume                     1308.5(2)
_computing_cell_refinement       CAD4_(Enraf-Nonius,_1994)
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_computing_data_reduction        process_MolEN_(Fair,_1990)
_computing_publication_material  BTABLE_PTABLE_CIF_IN_MolEN_(Fair,_1990)
_computing_structure_refinement  LSFM_MolEN_(Fair,_1990)
_computing_structure_solution    Direct_methods_(SIR,_Burla_et_al.,_1989)
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_diffrn_measurement_device       Enraf_Nonius_CAD4
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_limit_k_min       0
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_refine_ls_abs_structure_details ' ?'
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_refine_ls_R_factor_obs          0.096
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_refine_ls_shift/esd_mean        0.026
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 4Fo^2^/(\s^2^(Fo^2^) + 0.0004 Fo^4^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.104
_refine_ls_wR_factor_obs         0.104
_reflns_number_observed          2104
_reflns_number_total             2824
_reflns_observed_criterion       >1.0\s(I)
_cod_data_source_file            ol990026z.cif
_cod_data_source_block           Compound4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '4Fo^2^/(\s^2^(Fo^2^) + 0.0004
Fo^4^)' 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^) + 0.0004 Fo^4^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1308.4(5)
_cod_original_sg_symbol_Hall     ' P 2yb'
_cod_original_formula_sum        C23H33N2O7PS
_cod_database_code               1507555