Stereochemical Course of Deprotonation-Acylation of N-Boc- and N-Carbamoyl-2-cyano-6-methylpiperidines.
Kotomori, Yuri; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei; The Journal of organic chemistry 80 (2015) 11013–11020; doi:10.1021/acs.joc.5b02178

data_4036477
_publ_section_title
;
 Stereochemical Course of Deprotonation-Acylation of N-Boc- and
 N-Carbamoyl-2-cyano-6-methylpiperidines.
;
_journal_issue                   21
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              11013
_journal_page_last               11020
_journal_paper_doi               10.1021/acs.joc.5b02178
_journal_volume                  80
_journal_year                    2015
_chemical_formula_sum            'C19 H24 N2 O3'
_chemical_formula_weight         328.40
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
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_cell_length_b                   14.176(4)
_cell_length_c                   13.662(4)
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_cell_measurement_temperature    100
_cell_measurement_theta_max      26.92
_cell_measurement_theta_min      2.64
_cell_volume                     1782.4(9)
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_computing_molecular_graphics    'ORTEP-3 for Windows'
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_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100
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_diffrn_measured_fraction_theta_full 0.971
_diffrn_measured_fraction_theta_max 0.931
_diffrn_measurement_device_type  'Bruker APEX II CCD area detector'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0327
_diffrn_reflns_av_unetI/netI     0.0303
_diffrn_reflns_Laue_measured_fraction_full 0.971
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_diffrn_reflns_theta_min         2.121
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    0.083
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
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_exptl_crystal_description       prismatic
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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^)+(0.0475P)^2^+1.6364P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             3668
_reflns_threshold_expression     'I > 2\s(I)'
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_shelx_estimated_absorpt_t_max   0.992
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_shelx_hkl_checksum              51292