A synthesis of the welwistatin core.
Lauchli, Ryan; Shea, Kenneth J.; Organic letters 8 (2006) 5287–5289; doi:10.1021/ol0620747

data_1506252
_publ_section_title
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 A synthesis of the welwistatin core.
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_journal_issue                   23
_journal_name_full               'Organic letters'
_journal_page_first              5287
_journal_page_last               5289
_journal_paper_doi               10.1021/ol0620747
_journal_volume                  8
_journal_year                    2006
_chemical_formula_sum            'C22 H17 N O4 S'
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_atom_sites_solution_hydrogens   difmap
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_atom_sites_solution_secondary   difmap
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_cell_length_b                   15.3095(14)
_cell_length_c                   8.5436(8)
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_computing_cell_refinement       'Bruker SMART/SAINT'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      163(2)
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_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
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_diffrn_reflns_av_R_equivalents  0.0315
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_diffrn_reflns_limit_l_min       -10
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_diffrn_reflns_theta_max         27.10
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_diffrn_standards_decay_%        '< 1.0'
_diffrn_standards_interval_count 'initial 50 frames recollected'
_diffrn_standards_number         '50 frames'
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_exptl_absorpt_correction_T_max  0.9575
_exptl_absorpt_correction_T_min  0.9381
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
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_exptl_crystal_density_meas      ?
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_exptl_crystal_description       irregular
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0430P)^2^+1.0978P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0854
_refine_ls_wR_factor_ref         0.0945
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_cod_data_source_file            ol0620747si20060822_014212.cif
_cod_data_source_block           kjs59
_cod_depositor_comments
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The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'n/a' 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 
;
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               1506252