Mechanistic Insight into Additions of Allylic Grignard Reagents to Carbonyl Compounds.
Bartolo, Nicole D.; Woerpel, K. A.; The Journal of organic chemistry 83 (2018) 10197–10206; doi:10.1021/acs.joc.8b01430

data_4035110
_publ_section_title
;
 Mechanistic Insight into Additions of Allylic Grignard Reagents to
 Carbonyl Compounds.
;
_journal_issue                   17
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              10197
_journal_page_last               10206
_journal_paper_doi               10.1021/acs.joc.8b01430
_journal_volume                  83
_journal_year                    2018
_chemical_formula_sum            'C19 H22 O2'
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_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_reflns_Laue_measured_fraction_full 1.000
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_diffrn_reflns_point_group_measured_fraction_full 1.000
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_diffrn_reflns_theta_max         28.292
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_exptl_absorpt_coefficient_mu    0.079
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.7108
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
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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^)+(0.0585P)^2^+0.5167P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_gt                3282
_reflns_number_total             3704
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo8b01430_si_002.cif
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_cod_original_sg_symbol_H-M      'P 21/n'
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_shelx_estimated_absorpt_t_min   0.964
_shelx_estimated_absorpt_t_max   0.983
_shelx_res_checksum              52273
_shelx_hkl_checksum              28280