Programmable synthesis of multiply arylated cubanes through C–H metalation and arylation
Okude, Ryo; Mori, Genki; Yagi, Akiko; Itami, Kenichiro; Chemical Science 11 (2020) 7672–7675; doi:10.1039/D0SC01909G

data_1557900
_publ_section_title
;
 Programmable synthesis of multiply arylated cubanes through C--H
 metalation and arylation
;
_journal_issue                   29
_journal_name_full               'Chemical Science'
_journal_page_first              7672
_journal_page_last               7675
_journal_paper_doi               10.1039/D0SC01909G
_journal_volume                  11
_journal_year                    2020
_chemical_formula_sum            'C30 H26 F3 N3 O'
_chemical_formula_weight         501.54
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;
2020-03-30 deposited with the CCDC.	2020-04-24 downloaded from the CCDC.
;
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_exptl_absorpt_process_details
;
CrysAlisPro 1.171.40.39a (Rigaku Oxford Diffraction, 2019)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_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^)+(0.0319P)^2^+3.3237P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1401
_refine_ls_wR_factor_ref         0.1466
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3506
_reflns_number_total             4418
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0sc01909g2.cif
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_cod_depositor_comments
;Adding full bibliography for 1557900--1557907.cif.

 Adding full bibliography for 1557900--1557907.cif.
;
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1557900
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