Stereocomplexity and Stereoselective Synthesis of Triamine Molecules Bearing Four Chiral Carbon Centers: Stereodifferentiated Preparation of All 10 Stereoisomers of 2,6-Bis[1-(1-phenylethylamino)ethyl]pyridines
Jun'ichi Uenishi; Sachiko Aburatani; Taro Takami; Journal of Organic Chemistry 72 (2007) 132–138; doi:10.1021/jo061729e

data_4022613
_publ_section_title
;
 Stereocomplexity and Stereoselective Synthesis of Triamine Molecules
 Bearing Four Chiral Carbon Centers: Stereodifferentiated Preparation
 of All 10 Stereoisomers of 2,6-Bis[1-(1-phenylethylamino)ethyl]pyridines
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              132
_journal_page_last               138
_journal_paper_doi               10.1021/jo061729e
_journal_volume                  72
_journal_year                    2007
_chemical_formula_moiety         'C25 H31 Cl2 N3 Zn '
_chemical_formula_sum            'C25 H31 Cl2 N3 Zn'
_chemical_formula_weight         509.83
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      5
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_audit_creation_date             'Fri Nov 28 16:44:52 2003'
_audit_creation_method           'by teXsan'
_cell_angle_alpha                90
_cell_angle_beta                 99.153(7)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.689(1)
_cell_length_b                   9.363(1)
_cell_length_c                   11.234(1)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      29.9
_cell_measurement_theta_min      29.2
_cell_volume                     1213.8(2)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.11'
_computing_publication_material  'teXsan Ver. 1.11'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SHELXS97
_diffrn_measured_fraction_theta_full 1.0000
_diffrn_measured_fraction_theta_max 1.0000
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_wavelength     1.5418
_diffrn_reflns_av_R_equivalents  0.009
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            1245
_diffrn_reflns_theta_full        68.10
_diffrn_reflns_theta_max         68.10
_diffrn_standards_decay_%        0.08
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.551
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.596
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.250
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.20
_refine_diff_density_min         -0.21
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.141
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     140
_refine_ls_number_reflns         1181
_refine_ls_R_factor_gt           0.0242
_refine_ls_shift/su_max          0.0002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.05000(Max(Fo^2^,0) + 2Fc^2^)/3)^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0683
_reflns_number_gt                1153
_reflns_number_total             1181
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo061729esi20060824_022110.cif
_cod_data_source_block           YX-031
_cod_original_sg_symbol_H-M      'C 2'
_cod_original_formula_sum        'C25 H31 Cl2 N3 Zn '
_cod_database_code               4022613