Ruthenium-Catalyzed <i>meta</i>-Selective C<sub>Ar</sub>-H Bond Formylation of Arenes.
Jia, Chunqi; Wu, Nini; Cai, Xiaofeng; Li, Gang; Zhong, Lei; Zou, Lei; Cui, Xiuling; The Journal of organic chemistry 85 (2020) 4536–4542; doi:10.1021/acs.joc.0c00007

data_4038055
_publ_section_title
;
 Ruthenium-Catalyzed <i>meta</i>-Selective C<sub>Ar</sub>-H Bond
 Formylation of Arenes.
;
_journal_issue                   6
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              4536
_journal_page_last               4542
_journal_paper_doi               10.1021/acs.joc.0c00007
_journal_volume                  85
_journal_year                    2020
_chemical_formula_sum            'C18 H14 F0 N2 O0'
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_cell_length_c                   11.779(2)
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_computing_cell_refinement       'Bruker SAINT'
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_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.992
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_monochromator  graphite
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_diffrn_reflns_number            11459
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_diffrn_reflns_theta_max         28.31
_diffrn_reflns_theta_min         3.00
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
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_exptl_absorpt_coefficient_mu    0.075
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_exptl_crystal_colour            colorless
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_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
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_refine_ls_number_reflns         3351
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0811P)^2^+2.1686P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2426
_refine_ls_wR_factor_ref         0.2565
_reflns_number_gt                2228
_reflns_number_total             3351
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            jo0c00007_si_002.cif
_cod_data_source_block           1
_cod_depositor_comments
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The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/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 

 Adding full bibliography for 4038055.cif.
;
_cod_original_sg_symbol_H-M      'P2(1)/c  '
_cod_database_code               4038055