Total Synthesis and Biological Evaluation of Cortistatins A and J and Analogues Thereof
K. C. Nicolaou; Xiao-Shui Peng; Ya-Ping Sun; Damien Polet; Bin Zou; Chek Shik Lim; David Y.-K. Chen; Journal of the American Chemical Society 131 (2009) 10587–10597; doi:10.1021/ja902939t

data_4104752
_publ_section_title
;
 Total Synthesis and Biological Evaluation of Cortistatins A and J and
 Analogues Thereof
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10587
_journal_page_last               10597
_journal_paper_doi               10.1021/ja902939t
_journal_volume                  131
_journal_year                    2009
_chemical_formula_moiety         'C25 H29 N O4 '
_chemical_formula_sum            'C25 H29 N O4'
_chemical_formula_weight         407.51
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                74.368(11)
_cell_angle_beta                 89.014(13)
_cell_angle_gamma                79.680(12)
_cell_formula_units_Z            2
_cell_length_a                   9.9221(8)
_cell_length_b                   10.2588(5)
_cell_length_c                   11.1446(6)
_cell_measurement_reflns_used    3473
_cell_measurement_temperature    113.1
_cell_measurement_theta_max      23.3
_cell_measurement_theta_min      1.9
_cell_volume                     1074.19(14)
_computing_cell_refinement       PROCESS
_computing_data_collection       PROCESS
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.842
_diffrn_measured_fraction_theta_max 0.842
_diffrn_measurement_device_type  'Rigaku RAXIS-UNKNOWN'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.065
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4677
_diffrn_reflns_theta_full        23.26
_diffrn_reflns_theta_max         23.26
_exptl_absorpt_coefficient_mu    0.085
_exptl_absorpt_correction_T_max  0.996
_exptl_absorpt_correction_T_min  0.534
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.260
_exptl_crystal_description       chip
_exptl_crystal_F_000             436.00
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.53
_refine_diff_density_min         -0.51
_refine_ls_extinction_coef       52(27)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   3.758
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     447
_refine_ls_number_reflns         2891
_refine_ls_R_factor_gt           0.0808
_refine_ls_shift/su_max          0.5211
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1.0'
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_ref         0.0787
_reflns_number_gt                2853
_reflns_number_total             2590
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja902939t_si_006.cif
_cod_data_source_block           '__DP_231007'
_cod_original_cell_volume        1074.18(12)
_cod_original_formula_sum        'C25 H29 N O4 '
_cod_database_code               4104752