CgPhen-DalPhos Enables the Nickel-Catalyzed O-Arylation of Tertiary Alcohols with (Hetero)Aryl Electrophiles
Morrison, Kathleen M.; McGuire, Ryan T.; Ferguson, Michael J.; Stradiotto, Mark; ACS Catalysis  (2021) 10878–10884; doi:10.1021/acscatal.1c03010

data_4518974
_publ_section_title
;
 CgPhen-DalPhos Enables the Nickel-Catalyzed O-Arylation of Tertiary
 Alcohols with (Hetero)Aryl Electrophiles
;
_journal_name_full               'ACS Catalysis'
_journal_page_first              10878
_journal_page_last               10884
_journal_paper_doi               10.1021/acscatal.1c03010
_journal_year                    2021
_chemical_formula_moiety         'C47 H59 Br0.41 Cl0.59 Ni O5 P2, 2(C H2 Cl2)'
_chemical_formula_sum            'C49 H63 Br0.41 Cl4.59 Ni O5 P2'
_chemical_formula_weight         1048.12
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
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_diffrn_measured_fraction_theta_full 0.965
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_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_point_group_measured_fraction_full 0.965
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_diffrn_reflns_theta_max         70.560
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_exptl_absorpt_coefficient_mu    3.803
_exptl_absorpt_correction_T_max  0.8960
_exptl_absorpt_correction_T_min  0.4771
_exptl_absorpt_correction_type   numerical
_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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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0773P)^2^+1.6411P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_total             10006
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_original_cell_volume        2733.23(19)
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