Regio- and stereoselective ring-opening of chiral 1,3-oxazolidin-2-one derivatives by organocopper reagents provides novel access to di-, tri- and tetra-substituted alkene dipeptide isosteresElectronic supplementary information (ESI) available: synthetic procedures and characterization for 4a,b, 5a,b, 7b, 8a,b, 9a,b, 10b, 11a,b, 12b,c, 13b, 14a,b, 15, 16a,b, 17a,b, 18, 19b, 20b. See http://www.rsc.org/suppdata/p1/b2/b203482d/
Oishi, Shinya; Niida, Ayumu; Kamano, Takae; Miwa, Yoshihisa; Taga, Tooru; Odagaki, Yoshihiko; Hamanaka, Nobuyuki; Yamamoto, Mikio; Ajito, Keiichi; Tamamura, Hirokazu; Otaka, Akira; Fujii, Nobutaka; Journal of the Chemical Society, Perkin Transactions 1  (2002) 1786–; doi:10.1039/b203482d

data_7204433
_publ_section_title
;
 Regio- and stereoselective ring-opening of chiral 1,3-oxazolidin-2-one
 derivatives by organocopper reagents provides novel access to di-,
 tri- and tetra-substituted alkene dipeptide isosteresElectronic
 supplementary information (ESI) available: synthetic procedures and
 characterization for 4a,b, 5a,b, 7b, 8a,b, 9a,b, 10b, 11a,b, 12b,c,
 13b, 14a,b, 15, 16a,b, 17a,b, 18, 19b, 20b. See
 http://www.rsc.org/suppdata/p1/b2/b203482d/
;
_journal_issue                   15
_journal_name_full
'Journal of the Chemical Society, Perkin Transactions 1'
_journal_page_first              1786
_journal_paper_doi               10.1039/b203482d
_journal_year                    2002
_chemical_compound_source        synthetic
_chemical_formula_sum            'C26 H41 N O4'
_chemical_formula_weight         431.62
_chemical_name_common            19b
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.12(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   10.483(3)
_cell_length_b                   10.019(2)
_cell_length_c                   13.104(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295.0
_cell_measurement_theta_max      28.9
_cell_measurement_theta_min      22.6
_cell_volume                     1376.3(6)
_computing_cell_refinement       NSC/AFC
_computing_data_collection       Rigaku/AFC5
_computing_data_reduction        NSC/AFC
_computing_molecular_graphics    KPPXRAY
_computing_publication_material  EDCIF-J
_computing_structure_refinement  'Full Matrix Least Squares'
_computing_structure_solution    MULTAN88
_diffrn_ambient_temperature      295.0
_diffrn_measurement_device       diffractometer
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_monochromator  graphaite
_diffrn_radiation_source         rotarix
_diffrn_radiation_type           CU
_diffrn_radiation_wavelength     1.54051
_diffrn_reflns_av_R_equivalents  0.035
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            2229
_diffrn_reflns_reduction_process NSC/AFC
_diffrn_reflns_theta_max         60
_diffrn_reflns_theta_min         1
_diffrn_standards_decay_%        2
_diffrn_standards_interval_count 56
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.55
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.041
_exptl_crystal_description       prism
_exptl_crystal_F_000             466
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.18
_refine_diff_density_min         -0.24
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.15
_refine_ls_hydrogen_treatment    'refxyz  from D-map'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         1897
_refine_ls_R_factor_obs          0.061
_refine_ls_shift/esd_max         0.08
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.023)
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.077
_reflns_number_total             2105
_reflns_observed_criterion       F>3\s(F)
_cod_data_source_file            b203482d.txt
_cod_data_source_block           19b
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w=1/(\s^2^(F)+0.023)' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w=1/(\s^2^(F)+0.023)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1376.3
_cod_original_sg_symbol_H-M      'P 21'
_cod_original_formula_sum        'C26 H41 O4 N1'
_cod_database_code               7204433