The Simplest Diels-Alder Reactions Are Not Endo-Selective
Lording, William J.; Fallon, Thomas; Sherburn, Michael Stephen; Paddon-Row, Michael N; Chemical Science  (2020) –; doi:10.1039/D0SC04553E

data_1559296
_publ_section_title
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 The Simplest&#x00A0;Diels-Alder Reactions Are Not Endo-Selective
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_journal_name_full               'Chemical Science'
_journal_paper_doi               10.1039/D0SC04553E
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2020-05-25 deposited with the CCDC.	2020-10-02 downloaded from the CCDC.
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ORTEP-II (Johnson 1976) in teXsan (MSC, 1992-1997)
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via Gaussian method (Coppens, 1970) implemented in maXus (2000)
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 Method= Modified Sheldrick 
 w=1/[\s^2^(F^2^) + ( 0.06P)^2^ + 0.09P] 
 ,where P=(max(Fo^2^,0) + 2Fc^2^)/3 
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_oxford_reflns_number_all        1323
_oxford_reflns_threshold_expression_ref I>-10.0\s(I)
_oxford_structure_analysis_title '5051510 she1014'
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_cod_depositor_comments
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The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Orthorhombic' was changed
to 'orthorhombic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
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_cod_original_sg_symbol_H-M      'P 21 21 21 '
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