Catalyst-Free One-Pot Three-Component Synthesis of 4-Hydroxy-3-pyrazolylcoumarins in Ethanol at Room Temperature: Enolisable Aroylhydrazones as Efficient Ambident Nucleophile
Mukherjee, Sayan; Pramanik, Animesh; ACS Sustainable Chemistry & Engineering  (2019) –; doi:10.1021/acssuschemeng.9b05682

data_4517198
_publ_section_title
;
 Catalyst-Free One-Pot Three-Component Synthesis of
 4-Hydroxy-3-pyrazolylcoumarins in Ethanol at Room Temperature: Enolisable
 Aroylhydrazones as Efficient Ambident Nucleophile
;
_journal_name_full               'ACS Sustainable Chemistry &amp; Engineering'
_journal_paper_doi               10.1021/acssuschemeng.9b05682
_journal_year                    2019
_chemical_formula_sum            'C30 H20 N2 O4 S'
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_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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_diffrn_ambient_temperature      296(2)
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_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
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_exptl_absorpt_coefficient_mu    0.164
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_exptl_crystal_colour            RED
_exptl_crystal_density_diffrn    1.298
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
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_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.6376P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3953
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                5672
_reflns_number_total             8991
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            sc9b05682_si_002.cif
_cod_data_source_block           SM_a
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'EMPIRICAL' was
changed to 'empirical' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/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 
;
_cod_database_code               4517198
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              9669
_shelx_hkl_checksum              12222