Transannular, decarboxylative Claisen rearrangement reactions for the synthesis of sulfur-substituted vinylcyclopropanes
Craig, Donald; Gore, Sophie J.; Lansdell, Mark I.; Lewis, Simon E.; Mayweg, Alexander V. W.; White, Andrew J. P.; Chemical Communications 46 (2010) 4991–4993; doi:10.1039/c0cc00976h

data_7111761
_publ_section_title
;
 Transannular, decarboxylative Claisen rearrangement reactions for the
 synthesis of sulfur-substituted vinylcyclopropanes
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_journal_issue                   27
_journal_name_full               'Chemical Communications'
_journal_page_first              4991
_journal_page_last               4993
_journal_paper_doi               10.1039/c0cc00976h
_journal_volume                  46
_journal_year                    2010
_chemical_formula_moiety         'C32 H37 F2 N O3 S2'
_chemical_formula_sum            'C32 H37 F2 N O3 S2'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_diffrn_measurement_device_type  'OD Xcalibur 3'
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_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.32.5 (release 08-05-2007 CrysAlis171 .NET)
(compiled May 8 2007,13:10:02)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            Colourless
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_exptl_crystal_description       'platy needles'
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_refine_ls_abs_structure_details
'Flack H D (1983), Acta Cryst. A39, 876-881, 2656 Friedel pairs'
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_refine_ls_number_reflns         6964
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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^)+(0.0403P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0826
_refine_ls_wR_factor_ref         0.0918
_reflns_number_gt                4734
_reflns_number_total             6964
_reflns_threshold_expression     >2sigma(I)
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      Pca2(1)
_cod_database_code               7111761