Carborane-arene fused boracyclic analogues of polycyclic aromatic hydrocarbons accessed by intramolecular borylation.
Li, Yijie; Tamizmani, Masilamani; Akram, Manjur O.; Martin, Caleb D.; Chemical science 15 (2024) 7568–7575; doi:10.1039/d4sc00990h

data_1571442
_publ_section_title
;
 Carborane-arene fused boracyclic analogues of polycyclic aromatic
 hydrocarbons accessed by intramolecular borylation.
;
_journal_issue                   20
_journal_name_full               'Chemical science'
_journal_page_first              7568
_journal_page_last               7575
_journal_paper_doi               10.1039/d4sc00990h
_journal_volume                  15
_journal_year                    2024
_chemical_formula_sum            'C24 H33 B21'
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;
2024-02-09 deposited with the CCDC.	2024-04-16 downloaded from the CCDC.
;
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
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_diffrn_reflns_number            86013
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_exptl_crystal_colour            yellow
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_exptl_crystal_description       plate
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'vapor diffusion by dichloromethane solution into toluene'
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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^)+(0.0558P)^2^+7.4585P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1513
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_reflns_number_total             5756
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4sc00990h2.cif
_cod_data_source_block           2
_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.

data item '_atom_sites_solution_primary' value 'DIRECT METHODS' was
changed to 'direct'.

Automatic conversion script
Id: cif_fix_values 8170 2020-07-09 18:12:32Z antanas 

 Adding full bibliography for 1571438--1571443.cif.
;
_cod_database_code               1571442
_shelx_estimated_absorpt_t_min   0.969
_shelx_estimated_absorpt_t_max   0.988
_shelxl_version_number           2013-3
_shelx_res_checksum              66931