Palladium-Catalyzed Synthesis of Dibenzosilepin Derivatives via 1,<i>n</i>-Palladium Migration Coupled with <i>anti</i>-Carbopalladation of Alkyne.
Tsuda, Tomohiro; Choi, Seung-Min; Shintani, Ryo; Journal of the American Chemical Society 143 (2021) 1641–1650; doi:10.1021/jacs.0c12453

data_4135599
_publ_section_title
;
 Palladium-Catalyzed Synthesis of Dibenzosilepin Derivatives via
 1,<i>n</i>-Palladium Migration Coupled with <i>anti</i>-Carbopalladation
 of Alkyne.
;
_journal_issue                   3
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              1641
_journal_page_last               1650
_journal_paper_doi               10.1021/jacs.0c12453
_journal_volume                  143
_journal_year                    2021
_chemical_formula_moiety         'C27 H26 Si'
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_computing_data_reduction        'CrystalClear-SM Expert 2.1 b45'
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_diffrn_reflns_limit_l_min       -21
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_diffrn_reflns_theta_full        25.242
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_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
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_exptl_crystal_description       Prism
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_refine_ls_extinction_method     none
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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^)+(0.0540P)^2^+0.9675P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0974
_refine_ls_wR_factor_ref         0.1025
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7242
_reflns_number_total             9049
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja0c12453_si_003.cif
_cod_data_source_block           mw0326
_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/current/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_original_sg_symbol_H-M      'P 21/a'
_cod_database_code               4135599
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_shelx_res_checksum              19732
_shelx_hkl_checksum              54812