CBr4 promoted intramolecular aerobic oxidative dehydrogenative arylation of aldehydes: application in the synthesis of xanthones and fluorenones.
Tang, Jing; Zhao, Shijun; Wei, Yuanyuan; Quan, Zhengjun; Huo, Congde; Organic & biomolecular chemistry 15 (2017) 1589–1592; doi:10.1039/c7ob00080d

data_7155469
_publ_section_title
;
 CBr4 promoted intramolecular aerobic oxidative dehydrogenative arylation
 of aldehydes: application in the synthesis of xanthones and fluorenones.
;
_journal_issue                   7
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              1589
_journal_page_last               1592
_journal_paper_doi               10.1039/c7ob00080d
_journal_volume                  15
_journal_year                    2017
_chemical_formula_moiety         'C13 H8 O'
_chemical_formula_sum            'C13 H8 O'
_chemical_formula_weight         180.19
_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_Hall           '-P 2ac 2ab'
_space_group_name_H-M_alt        'P b c a'
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
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_atom_sites_solution_primary     direct
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Olex2 1.2
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2016-10-31 deposited with the CCDC.
2017-01-23 downloaded from the CCDC.
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_cell_angle_beta                 90
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_cell_length_c                   18.6772(9)
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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CrysAlisPro, Agilent Technologies,
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CrysAlisPro, Agilent Technologies,
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  1 omega   -9.00   98.10   1.0500    5.0000
omega____ theta____ kappa____ phi______ frames
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  2 omega  -13.00   50.00   1.0500    5.0000
omega____ theta____ kappa____ phi______ frames
    -       22.7867  -38.0000 -120.0000 60
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_diffrn_orient_matrix_UB_23      0.0344867000
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_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_number            10191
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_diffrn_source                   'SuperNova (Mo) X-ray Source'
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CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
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Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
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_exptl_crystal_colour            'clear light yellow'
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_exptl_crystal_colour_modifier   light
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0667P)^2^+0.3805P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7ob00080d2.cif
_cod_data_source_block           tangj_0727
_cod_depositor_comments
'Adding full bibliography for 7155468--7155469.cif.'
_cod_database_code               7155469
_reflns_odcompleteness_completeness 99.58
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     26.32
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C2(H2), C3(H3), C4(H4), C5(H5), C10(H10), C11(H11), C12(H12), C13(H13),
 C15(H15), C16(H16), C17(H17), C18(H18), C23(H23), C24(H24), C25(H25), C26(H26)
;
_shelx_shelxl_version_number     2014/7
_olex2_date_sample_data_collection 2016-07-27
_olex2_submission_special_instructions 'No special instructions were received'