Eco-friendly organocatalyst- and reagent-controlled selective construction of diverse and multifunctionalized 2-hydroxybenzophenone frameworks for potent UV-A/B filters by cascade benzannulation
Akhtar, Muhammad Saeed; Thombal, Raju S.; Inductivo Tamargo, Ramuel John; Yang, Won-Guen; Kim, Sung Hong; Lee, Yong Rok; Green Chemistry 22 (2020) 4523–4531; doi:10.1039/D0GC01011A

data_7240737
_publ_section_title
;
 Eco-friendly organocatalyst- and reagent-controlled selective
 construction of diverse and multifunctionalized 2-hydroxybenzophenone
 frameworks for potent UV-A/B filters by cascade benzannulation
;
_journal_issue                   14
_journal_name_full               'Green Chemistry'
_journal_page_first              4523
_journal_page_last               4531
_journal_paper_doi               10.1039/D0GC01011A
_journal_volume                  22
_journal_year                    2020
_chemical_formula_moiety         'C19 H14 O3'
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;
2020-03-21 deposited with the CCDC.	2020-06-16 downloaded from the CCDC.
;
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'Re-crystallisation from solvent: hexane/ethyl acetate'
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_refine_ls_number_reflns         3455
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_refine_ls_restrained_S_all      1.069
_refine_ls_R_factor_all          0.0504
_refine_ls_R_factor_gt           0.0429
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0452P)^2^+0.7069P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1088
_refine_ls_wR_factor_ref         0.1157
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2986
_reflns_number_total             3455
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0gc01011a2.cif
_cod_data_source_block           MS422
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' 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 

 Adding full bibliography for 7240736--7240737.cif.

 Adding full bibliography for 7240736--7240737.cif.
;
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7240737
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.976
_shelx_estimated_absorpt_t_max   0.985
_shelx_res_checksum              69223