Reactions of an Arylrhodium Complex with Aldehydes, Imines, Ketones, and Alkynones. New Classes of Insertion Reactions
Krug, Christopher; Hartwig, John F.; Organometallics 23 (2004) 4594–4607; doi:10.1021/om0496582

data_4083984
_publ_contact_author
;
      Dr. John F. Hartwig
      Department of Chemistry
      Yale University
      225 Prospect St
      PO Box 208107
      New Haven, CT 06520-8107
      USA
;
_publ_section_title
;
 Reactions of an Arylrhodium Complex with Aldehydes, Imines, Ketones,
 and Alkynones. New Classes of Insertion Reactions
;
_journal_coden_ASTM              ORGND7
_journal_issue                   20
_journal_name_full               Organometallics
_journal_page_first              4594
_journal_page_last               4607
_journal_paper_doi               10.1021/om0496582
_journal_volume                  23
_journal_year                    2004
_chemical_formula_sum            'C38 H36 N P2 Rh'
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_cell_angle_alpha                84.261(3)
_cell_angle_beta                 84.977(3)
_cell_angle_gamma                80.620(3)
_cell_formula_units_Z            2
_cell_length_a                   11.1280(18)
_cell_length_b                   11.1646(18)
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_cell_measurement_reflns_used    864
_cell_measurement_temperature    150(2)
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_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
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_diffrn_measured_fraction_theta_max 0.936
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_diffrn_reflns_theta_full        28.26
_diffrn_reflns_theta_max         28.26
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_exptl_absorpt_coefficient_mu    0.664
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.400
_exptl_crystal_density_meas      0
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_exptl_crystal_description       plate
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0534P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1012
_refine_ls_wR_factor_ref         0.1066
_reflns_number_gt                6118
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om0496582si20040513_034659.cif
_cod_data_source_block           global
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/retrospective/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-02
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4083984