Dibismuthanes in catalysis: from synthesis and characterization to redox behavior towards oxidative cleavage of 1,2-diols.
Magre, Marc; Kuziola, Jennifer; Nöthling, Nils; Cornella, Josep; Organic & biomolecular chemistry 19 (2021) 4922–4929; doi:10.1039/d1ob00367d

data_7158061
_publ_section_title
;
 Dibismuthanes in catalysis: from synthesis and characterization to redox
 behavior towards oxidative cleavage of 1,2-diols.
;
_journal_issue                   22
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              4922
_journal_page_last               4929
_journal_paper_doi               10.1039/d1ob00367d
_journal_volume                  19
_journal_year                    2021
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C36 H26 Bi2 O'
_chemical_formula_sum            'C36 H26 Bi2 O'
_chemical_formula_weight         892.53
_chemical_name_systematic
;
4,6-bis(diphenylbismuthanyl)dibenzo[b,d]furan
;
_chemical_properties_physical    none
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_space_group_name_H-M_alt        'P 21 21 21'
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Olex2 1.3
(compiled 2020.07.31 svn.rc2a77460 for OlexSys, GUI svn.r6145)
;
_audit_update_record
;
2021-02-19 deposited with the CCDC.	2021-04-26 downloaded from the CCDC.
;
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_diffrn_measurement_device_type  'Bruker AXS Enraf-Nonius KappaCCD'
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'Re-crystallisation from solvent:  dichloromethane, hexane'
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_refine_diff_density_rms         0.157
_refine_ls_abs_structure_details
;
 Flack x determined using 3069 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   -0.044(6)
_refine_ls_extinction_method     none
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_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0204P)^2^+3.6970P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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'Adding full bibliography for 7158061--7158068.cif.'
_cod_database_code               7158061
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C5(H5), C8(H8), C9(H9), C10(H10), C14(H14), C15(H15),
 C16(H16), C17(H17), C18(H18), C20(H20), C21(H21), C22(H22), C23(H23), C24(H24),
  C26(H26), C27(H27), C28(H28), C29(H29), C30(H30), C32(H32), C33(H33),
 C34(H34), C35(H35), C36(H36)
;
_shelx_res_checksum              73530
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_olex2_submission_special_instructions 'No special instructions were received'
_shelx_shelxl_version_number     2018/3