Palladium-Catalyzed Cross-Coupling of α-Bromocarbonyls and Allylic Alcohols for the Synthesis of α-Aryl Dicarbonyl Compounds.
Yu, Yang; Tambar, Uttam K.; Chemical science (Royal Society of Chemistry : 2010) 6 (2015) 2777–2781; doi:10.1039/C5SC00505A

data_1518865
_publ_section_title
;
 Palladium-Catalyzed Cross-Coupling of \a-Bromocarbonyls and Allylic
 Alcohols for the Synthesis of \a-Aryl Dicarbonyl Compounds.
;
_journal_issue                   5
_journal_name_full
'Chemical science (Royal Society of Chemistry : 2010)'
_journal_page_first              2777
_journal_page_last               2781
_journal_paper_doi               10.1039/C5SC00505A
_journal_volume                  6
_journal_year                    2015
_chemical_formula_moiety         'C23 H27 N O2'
_chemical_formula_sum            'C23 H27 N O2'
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_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2015-01-06 deposited with the CCDC.
2015-02-25 downloaded from the CCDC.
;
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_computing_cell_refinement       'Apex II release 2010, Bruker AXS, Inc.'
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_computing_molecular_graphics    'XP SHELXTL/PC, Siemens Analytical'
_computing_publication_material  'XL SHELXTL/PC, Siemens Analytical'
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_computing_structure_solution
;

SUPERFLIP.  Palatinus, L. and Chapuis, G., J. Appl. Cryst. 40, 786-790.
;
_diffrn_ambient_temperature      173(2)
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_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Nonius Kappa CCD with Bruker Apex II detector'
_diffrn_measurement_method       '\f and \w-scans'
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_exptl_absorpt_process_details
;
SADABS.
;
_exptl_crystal_colour            colorless
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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^)+(0.0405P)^2^+0.6100P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0862
_refine_ls_wR_factor_ref         0.1016
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2375
_reflns_number_total             3449
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c5sc00505a2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
;Adding full bibliography for 1518865.cif.

 Adding full bibliography for 1518865.cif.
;
_cod_database_code               1518865
_shelx_estimated_absorpt_t_min   0.984
_shelx_estimated_absorpt_t_max   0.991
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