Stereoselective Synthesis of (Z)-Alkene-Containing Proline Dipeptide Mimetics
Yoshikazu Sasaki; Ayumu Niida; Takashi Tsuji; Akira Shigenaga; Nobutaka Fujii; Akira Otaka; Journal of Organic Chemistry 71 (2006) 4969–4979; doi:10.1021/jo0606002

data_4021764
_publ_section_title
;
 Stereoselective Synthesis of (Z)-Alkene-Containing Proline
 Dipeptide Mimetics
;
_journal_name_full               'Journal of Organic Chemistry'
_journal_page_first              4969
_journal_page_last               4979
_journal_paper_doi               10.1021/jo0606002
_journal_volume                  71
_journal_year                    2006
_chemical_formula_moiety         'C9 H13 N O '
_chemical_formula_sum            'C9 H13 N O'
_chemical_formula_weight         151.21
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_audit_creation_date             2005-12-02
_audit_creation_method           'by CrystalStructure 3.6.0'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.209(1)
_cell_length_b                   8.188(2)
_cell_length_c                   18.667(6)
_cell_measurement_reflns_used    10542
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      27.4
_cell_measurement_theta_min      4.0
_cell_volume                     796.1(4)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.6.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR97
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.9937
_diffrn_measured_fraction_theta_max 0.9937
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.055
_diffrn_reflns_limit_h_max       6
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            6718
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_exptl_absorpt_coefficient_mu    0.082
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.261
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             328.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         2.01
_refine_diff_density_min         -1.17
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     113
_refine_ls_number_reflns         6680
_refine_ls_R_factor_gt           0.0570
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0025Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1560
_reflns_number_gt                5327
_reflns_number_total             6681
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            jo0606002si20060320_075121.cif
_cod_original_formula_sum        'C9 H13 N O '
_cod_database_code               4021764