Chemoselective SN2' Allylations of Detrifluoroacetylatively In Situ Generated 3-Fluoroindolin-2-one-Derived Tertiary Enolates with Morita-Baylis-Hillman Carbonates.
Zhu, Yi; Mei, Haibo; Han, Jianlin; Soloshonok, Vadim A.; Zhou, Jie; Pan, Yi; The Journal of organic chemistry 82 (2017) 13663–13670; doi:10.1021/acs.joc.7b02409

data_4033254
_publ_section_title
;
 Chemoselective SN2' Allylations of Detrifluoroacetylatively In Situ
 Generated 3-Fluoroindolin-2-one-Derived Tertiary Enolates with
 Morita-Baylis-Hillman Carbonates.
;
_journal_issue                   24
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              13663
_journal_page_last               13670
_journal_paper_doi               10.1021/acs.joc.7b02409
_journal_volume                  82
_journal_year                    2017
_chemical_formula_sum            'C20 H17 Br F N O3'
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_space_group_name_Hall           '-P 2ybc'
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_symmetry_space_group_name_H-M   'P 1 21/c 1'
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
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_diffrn_measured_fraction_theta_max 0.994
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0600
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_diffrn_reflns_Laue_measured_fraction_full 0.994
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_diffrn_reflns_limit_h_min       -16
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_diffrn_reflns_point_group_measured_fraction_full 0.994
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_diffrn_reflns_theta_max         25.005
_diffrn_reflns_theta_min         1.523
_exptl_absorpt_coefficient_mu    2.312
_exptl_crystal_colour
;
;
_exptl_crystal_density_diffrn    1.543
_exptl_crystal_description
;
;
_exptl_crystal_F_000             848
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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^)+(0.0684P)^2^+1.4097P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1092
_refine_ls_wR_factor_ref         0.1264
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2752
_reflns_number_total             3149
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_depositor_comments          'Adding full bibliography for 4033254.cif.'
_cod_database_code               4033254
_shelx_estimated_absorpt_t_max   0.630
_shelx_estimated_absorpt_t_min   0.585
_shelx_hkl_checksum              74274
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_shelx_shelxl_version_number     2014/7