H· Transfer-Initiated Synthesis of γ-Lactams: Interpretation of Cycloisomerization and Hydrogenation Ratios
Lorenc, Chris; Vibbert, Hunter B.; Yao, Chengbo; Norton, Jack R.; Rauch, Michael; ACS Catalysis  (2019) 10294–; doi:10.1021/acscatal.9b03678

data_4514439
_publ_section_title
;
 H&#x00B7; Transfer-Initiated Synthesis of \g-Lactams: Interpretation of
 Cycloisomerization and Hydrogenation Ratios
;
_journal_name_full               'ACS Catalysis'
_journal_page_first              10294
_journal_paper_doi               10.1021/acscatal.9b03678
_journal_year                    2019
_chemical_formula_sum            'C17 H25 N O'
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_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      130(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
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_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         26.360
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_exptl_absorpt_coefficient_mu    0.072
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6826
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   sadabs
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_refine_ls_R_factor_all          0.0724
_refine_ls_R_factor_gt           0.0509
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0255P)^2^+0.6741P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_shelxl_version_number     2014/7
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_shelx_estimated_absorpt_t_max   0.998
_shelx_res_checksum              26189
_shelx_hkl_checksum              79313