Arylation of aldehydes catalyzed by fluorinated NHC–Rh(i) complexes
Turcio-García, Luis Ángel; Valdés, Hugo; Hernández-Ortega, Simón; Canseco-Gonzalez, Daniel; Morales-Morales, David; New Journal of Chemistry 46 (2022) 16789–16800; doi:10.1039/D2NJ02949A

data_7061746
_publ_section_title
;
 Arylation of aldehydes catalyzed by fluorinated NHC--Rh(i) complexes
;
_journal_issue                   35
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              16789
_journal_page_last               16800
_journal_paper_doi               10.1039/D2NJ02949A
_journal_volume                  46
_journal_year                    2022
_chemical_formula_sum            'C22 H21 Cl F3 N2 Rh'
_chemical_formula_weight         508.77
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_space_group_name_Hall           '-P 1'
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_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-06-14 deposited with the CCDC.	2022-08-01 downloaded from the CCDC.
;
_cell_angle_alpha                82.7040(10)
_cell_angle_beta                 81.8720(11)
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_cell_length_c                   16.6081(5)
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_cell_measurement_temperature    298(2)
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_computing_cell_refinement       'APEX3 v2016.1 (Bruker, 2014)'
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_computing_molecular_graphics
'Ortep-3 Ver 2.02 L.J. Farrugia (1997) J. Appl. Cryst. 30, 565'
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_diffrn_ambient_temperature      298(2)
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_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.999
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'Bruker D8 Venture \k-geometry diffractometer 208039-01'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.0112
_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_limit_l_min       -19
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_min         2.491
_diffrn_source                   'micro-focus X-ray source'
_exptl_absorpt_coefficient_mu    0.985
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_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
; 
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D., 
 J. Appl. Cryst. 48 (2015) 3-10 
;
_exptl_crystal_colour            yellow
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_exptl_crystal_description       Prism
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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^)+(0.0331P)^2^+0.5278P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0628
_refine_ls_wR_factor_ref         0.0643
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3614
_reflns_number_total             3809
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2nj02949a2.cif
_cod_data_source_block           compound-10
_cod_depositor_comments
'Adding full bibliography for 7061740--7061746.cif.'
_cod_database_code               7061746
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.674
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_shelx_res_checksum              49538