Synthesis of symmetrical and unsymmetrical triarylpyrylium ions via an inverse electron demand Diels-Alder reaction.
Fathimath Salfeena, C. T.; Basavaraja, ?; Ashitha, K. T.; Kumar, V. Praveen; Varughese, Sunil; Suresh, Cherumuttathu H.; Sasidhar, B. S.; Chemical communications (Cambridge, England) 54 (2018) 12463–12466; doi:10.1039/c8cc06444j

data_7122445
_publ_section_title
;
 Synthesis of symmetrical and unsymmetrical triarylpyrylium ions via an
 inverse electron demand Diels-Alder reaction.
;
_journal_issue                   88
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              12463
_journal_page_last               12466
_journal_paper_doi               10.1039/c8cc06444j
_journal_volume                  54
_journal_year                    2018
_chemical_formula_moiety         'C23 H16 B Cl F4 O'
_chemical_formula_sum            'C23 H16 B Cl F4 O'
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_symmetry_space_group_name_Hall  '-P 2yn'
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_atom_sites_solution_hydrogens   geom
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_audit_update_record
;
2017-09-15 deposited with the CCDC.
2018-10-11 downloaded from the CCDC.
;
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_computing_cell_refinement
;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)
;
_computing_data_collection
;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)
;
_computing_data_reduction
;
CrystalClear-SM Expert 2.1 b29 (Rigaku, 2013)
;
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      302(2)
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;
Rigaku Saturn724+ (4x4 bin mode)
;
_diffrn_measurement_method       'profile data from \w-scans'
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_diffrn_reflns_limit_l_min       -18
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_exptl_absorpt_process_details
;
R. H. Blessing Acta Crystallogr., Sect. A, 1995, 51, 33-58
;
_exptl_crystal_colour            Colorless
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1219P)^2^+1.1634P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2163
_refine_ls_wR_factor_ref         0.2369
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2735
_reflns_number_total             3674
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8cc06444j2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Empirical' changed to
'empirical' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 

 Adding full bibliography for 7122445.cif.
;
_cod_original_cell_volume        2036.3(15)
_cod_database_code               7122445
_shelx_estimated_absorpt_t_min   0.933
_shelx_estimated_absorpt_t_max   0.948
_shelxl_version_number           2013-4
_shelx_res_checksum              11369