An Efficient One-Pot Approach to the Construction of Chiral Nitrogen-Containing Heterocycles under Mild Conditions.
Feng, Huan-Xi; Tan, Rui; Liu, Yan-Kai; Organic letters 17 (2015) 3794–3797; doi:10.1021/acs.orglett.5b01772

data_1529257
_publ_section_title
;
 An Efficient One-Pot Approach to the Construction of Chiral
 Nitrogen-Containing Heterocycles under Mild Conditions.
;
_journal_issue                   15
_journal_name_full               'Organic letters'
_journal_page_first              3794
_journal_page_last               3797
_journal_paper_doi               10.1021/acs.orglett.5b01772
_journal_volume                  17
_journal_year                    2015
_chemical_absolute_configuration rm
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_atom_sites_solution_hydrogens   geom
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 105.869(5)
_cell_angle_gamma                90.00
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_cell_length_b                   12.7954(6)
_cell_length_c                   13.7775(6)
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_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.2620
_cell_measurement_theta_min      4.7600
_cell_volume                     1888.49(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Xcalibur, Eos, Gemini'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0498
_diffrn_reflns_av_sigmaI/netI    0.0619
_diffrn_reflns_limit_h_max       13
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_diffrn_reflns_limit_k_min       -11
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_diffrn_reflns_limit_l_min       -16
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_diffrn_reflns_theta_max         67.24
_diffrn_reflns_theta_min         3.33
_exptl_absorpt_coefficient_mu    1.812
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_exptl_absorpt_correction_T_min  0.7985
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.366
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             816
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.333
_refine_diff_density_min         -0.457
_refine_diff_density_rms         0.144
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.01(2)
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         5094
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_refine_ls_R_factor_all          0.0700
_refine_ls_R_factor_gt           0.0534
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0627P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1288
_refine_ls_wR_factor_ref         0.1436
_reflns_number_gt                3976
_reflns_number_total             5094
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ol5b01772_si_002.cif
_cod_data_source_block           exp_6182
_cod_depositor_comments          'Adding full bibliography for 1529257.cif.'
_cod_original_cell_volume        1888.50(16)
_cod_original_sg_symbol_H-M      P21
_cod_database_code               1529257