The Practical Synthesis of a Novel and Highly Potent Analogue of Bryostatin
Paul A. Wender; Jeremy L. Baryza; Chad E. Bennett; F. Christopher Bi; Stacey E. Brenner; Michael O. Clarke; Joshua C. Horan; Cindy Kan; Emmanuel Lacôte; Blaise Lippa; Peter G. Nell; Tim M. Turner; Journal of the American Chemical Society 124 (2002) 13648–13649; doi:10.1021/ja027509+

data_4115318
_publ_contact_author_email       wenderp@stanford.edu
_publ_contact_author_name        'Paul A. Wender'
_publ_section_title
;
 The Practical Synthesis of a Novel and Highly Potent Analogue of
 Bryostatin
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              13648
_journal_page_last               13649
_journal_paper_doi               10.1021/ja027509+
_journal_volume                  124
_journal_year                    2002
_chemical_formula_moiety         'C19 H30 O4 '
_chemical_formula_sum            'C19 H30 O4'
_chemical_formula_weight         322.44
_space_group_IT_number           76
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      76
_symmetry_space_group_name_Hall  'P 4w'
_symmetry_space_group_name_H-M   'P 41'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.415(0)
_cell_length_b                   9.415(0)
_cell_length_c                   20.513(1)
_cell_measurement_temperature    273.1
_cell_volume                     1818.32(9)
_computing_cell_refinement       Unknown
_computing_data_collection       Unknown
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure Ver. 2.00'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SHELXS97
_diffrn_measured_fraction_theta_full 0.9883
_diffrn_measured_fraction_theta_max 0.9883
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.053
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            8081
_diffrn_reflns_theta_full        24.69
_diffrn_reflns_theta_max         24.69
_exptl_absorpt_coefficient_mu    0.081
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.178
_exptl_crystal_description       rhombic
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.23
_refine_diff_density_max         0.17
_refine_diff_density_min         -0.22
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.823
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     238
_refine_ls_number_reflns         1583
_refine_ls_R_factor_gt           0.0340
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/\s^2^(Fo^2^)'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0780
_reflns_number_gt                1278
_reflns_number_total             1549
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ja0275092B-2_s2_1.cif
_cod_data_source_block           compound_17_beta_data_
_cod_original_cell_volume        1818.3(1)
_cod_original_sg_symbol_H-M      'P 41 '
_cod_original_formula_sum        'C19 H30 O4 '
_cod_database_code               4115318