Catalyst-free 1,6-conjugate addition of indoles and 4-hydroxycoumarins to <i>para</i>-quinone methides: synthesis of unsymmetrical triarylmethanes.
Kumaran, Subramani; Prabhakaran, Mohan; Mariyammal, Narayanan; Parthasarathy, Kanniyappan; Organic & biomolecular chemistry 18 (2020) 7837–7841; doi:10.1039/d0ob01789b

data_7157714
_publ_section_title
;
 Catalyst-free 1,6-conjugate addition of indoles and 4-hydroxycoumarins to
 <i>para</i>-quinone methides: synthesis of unsymmetrical triarylmethanes.
;
_journal_issue                   39
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              7837
_journal_page_last               7841
_journal_paper_doi               10.1039/d0ob01789b
_journal_volume                  18
_journal_year                    2020
_chemical_formula_moiety         'C37 H38 N2 O3 S'
_chemical_formula_sum            'C37 H38 N2 O3 S'
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_audit_block_doi                 10.5517/ccdc.csd.cc25n8mr
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_audit_update_record
;
2020-07-10 deposited with the CCDC.	2020-08-28 downloaded from the CCDC.
;
_cell_angle_alpha                90
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_computing_cell_refinement       'APEX2/SAINT (Bruker, 2004)'
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_computing_structure_solution    'SHELXS-1997 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
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_diffrn_measurement_device_type  'Bruker axs kappa apex2 CCD Diffractometer'
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_exptl_crystal_colour            YELLOW
_exptl_crystal_density_diffrn    1.212
_exptl_crystal_density_method    'NOT MEASURED'
_exptl_crystal_description       BLOCK
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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^)+(0.0477P)^2^+0.6612P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0994
_refine_ls_wR_factor_ref         0.1294
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3253
_reflns_number_total             6033
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0ob01789b2.cif
_cod_data_source_block           shelx
_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 7157714.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7157714
_shelx_estimated_absorpt_t_min   0.973
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_shelx_res_checksum              66823
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