Reaction of Aldehydes/Ketones with Electron-Deficient 1,3,5-Triazines Leading to Functionalized Pyrimidines as Diels-Alder/Retro-Diels-Alder Reaction Products: Reaction Development and Mechanistic Studies.
Yang, Kai; Dang, Qun; Cai, Pei-Jun; Gao, Yang; Yu, Zhi-Xiang; Bai, Xu; The Journal of organic chemistry 82 (2017) 2336–2344; doi:10.1021/acs.joc.6b02570

data_4032254
_publ_section_title
;
 Reaction of Aldehydes/Ketones with Electron-Deficient 1,3,5-Triazines
 Leading to Functionalized Pyrimidines as Diels-Alder/Retro-Diels-Alder
 Reaction Products: Reaction Development and Mechanistic Studies.
;
_journal_issue                   5
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              2336
_journal_page_last               2344
_journal_paper_doi               10.1021/acs.joc.6b02570
_journal_volume                  82
_journal_year                    2017
_chemical_formula_sum            'C15 H8 F9 N3 O'
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_cell_measurement_temperature    293(2)
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_cell_volume                     2454.7(4)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      293(2)
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_exptl_absorpt_process_details   sadabs
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'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                6340
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_cod_data_source_file            jo6b02570_si_001.cif
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_cod_depositor_comments
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The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/data/users/saulius/crontab/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_original_sg_symbol_H-M      'P-1   '
_cod_database_code               4032254