Access to a Guanacastepene and Cortistatin-Related Skeleton via Ethynyl Lactone Ireland-Claisen Rearrangement and Transannular (4 + 3)-Cycloaddition of an Azatrimethylenemethane Diyl.
Zhurakovskyi, Oleksandr; Ellis, Sam R.; Thompson, Amber L.; Robertson, Jeremy; Organic letters 19 (2017) 2174–2177; doi:10.1021/acs.orglett.7b00834

data_1556040
_publ_section_title
;
 Access to a Guanacastepene and Cortistatin-Related Skeleton via Ethynyl
 Lactone Ireland-Claisen Rearrangement and Transannular (4 +
 3)-Cycloaddition of an Azatrimethylenemethane Diyl.
;
_journal_issue                   8
_journal_name_full               'Organic letters'
_journal_page_first              2174
_journal_page_last               2177
_journal_paper_doi               10.1021/acs.orglett.7b00834
_journal_volume                  19
_journal_year                    2017
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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_computing_data_collection
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CrystalClear-SM Expert 2.0 r4 (Rigaku, 2009)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
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_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'
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CrystalLogic Kappa (3 circle)
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_diffrn_measurement_device_type  'Rigaku Saturn724+ (2x2 bin mode)'
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
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_exptl_crystal_colour            clear_pale_colourless
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_refine_diff_density_max         0.42
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_refine_ls_structure_factor_coef Fsqd
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;
 Method= Modified Sheldrick 
 w=1/[\s^2^(F^2^) + ( 0.04P)^2^ + 3.63P] 
 ,where P=(max(Fo^2^,0) + 2Fc^2^)/3 
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_refine_ls_weighting_scheme      calc
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_oxford_refine_ls_r_factor_ref   0.0456
_oxford_refine_ls_scale          2.80(3)
_oxford_reflns_number_all        3702
_oxford_reflns_threshold_expression_ref I>-3.0\s(I)
_oxford_structure_analysis_title DIA0189
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;
The following automatic conversions were performed:

data item '_chemical_melting_point' value 'not measured' was changed
to '?' -- the value is undefined or not given.

data item '_atom_sites_solution_primary' value 'Other' was changed to
'other' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

data item '_exptl_crystal_density_meas' value 'not measured' was
changed to '?' -- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      'P b c a '
_cod_original_formula_sum        'C22 H26 O4 S1'
_cod_database_code               1556040