Multicomponent Cascade Reactions of Unprotected Ketoses and Amino Acids - Access to a Defined Configured Quaternary Stereogenic Center.
Richter, Celin; Nguyen Trung, Minh; Mahrwald, Rainer; The Journal of organic chemistry 80 (2015) 10849–10865; doi:10.1021/acs.joc.5b02003

data_4031717
_publ_section_title
;
 Multicomponent Cascade Reactions of Unprotected Ketoses and Amino Acids -
 Access to a Defined Configured Quaternary Stereogenic Center.
;
_journal_issue                   21
_journal_name_full               'The Journal of organic chemistry'
_journal_page_first              10849
_journal_page_last               10865
_journal_paper_doi               10.1021/acs.joc.5b02003
_journal_volume                  80
_journal_year                    2015
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C17 H22 N2 O3'
_chemical_formula_sum            'C17 H23 N2 O3'
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_chemical_name_systematic
;
 ?
;
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_symmetry_space_group_name_Hall  'P 2yb'
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_diffrn_measurement_device_type  'Bruker D8 VENTURE'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           CuK\a
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_diffrn_reflns_point_group_measured_fraction_full 0.971
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_exptl_absorpt_coefficient_mu    0.656
_exptl_absorpt_correction_T_max  .7528
_exptl_absorpt_correction_T_min  .6363
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.179
_exptl_crystal_description       needle
_exptl_crystal_F_000             652
_exptl_crystal_size_max          0.190
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_refine_ls_abs_structure_details
;
 Refined as an inversion twin.
;
_refine_ls_abs_structure_Flack   0.1(2)
_refine_ls_extinction_method     none
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_refine_ls_number_reflns         5877
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0412
_refine_ls_R_factor_gt           0.0373
_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^)+(0.0498P)^2^+0.5260P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0944
_refine_ls_wR_factor_ref         0.0975
_reflns_Friedel_coverage         0.956
_reflns_friedel_fraction_full    0.972
_reflns_friedel_fraction_max     0.996
_reflns_number_gt                5498
_reflns_number_total             5877
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            jo5b02003_si_003.cif
_cod_data_source_block           19d15
_cod_depositor_comments
'Adding full bibliography for 4031716--4031718.cif.'
_cod_database_code               4031717
_shelx_estimated_absorpt_t_min   0.886
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_shelxl_version_number           2013-4
_shelx_res_checksum              57128
_shelx_hkl_checksum              27455