Palladium-catalyzed intramolecular rearrangement of vinylidenecyclopropanes through C–C bond activation
Pan, Dong; Chen, Gen-Qiang; Tang, Xiang-Ying; Shi, Min; Organic Chemistry Frontiers 2 (2015) 792–; doi:10.1039/C5QO00127G

data_1553140
_publ_section_title
;
 Palladium-catalyzed intramolecular rearrangement of
 vinylidenecyclopropanes through C--C bond activation
;
_journal_issue                   7
_journal_name_full               'Organic Chemistry Frontiers'
_journal_page_first              792
_journal_paper_doi               10.1039/C5QO00127G
_journal_volume                  2
_journal_year                    2015
_chemical_formula_sum            'C30 H31 N O2 S'
_chemical_formula_weight         469.62
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2014-10-27 deposited with the CCDC.
2015-04-29 downloaded from the CCDC.
;
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_cell_length_c                   28.986(3)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      50.715
_cell_measurement_theta_min      4.852
_cell_volume                     2560.1(5)
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_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
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_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0604
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_min         2.099
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_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.6019
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_exptl_crystal_colour            colorless
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_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1000
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_refine_ls_extinction_coef       0.0099(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
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_refine_ls_number_reflns         5043
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_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0627
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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^)+(0.0565P)^2^+0.5008P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1211
_refine_ls_wR_factor_ref         0.1312
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3943
_reflns_number_total             5043
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_database_code               1553140
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