Isolation, Structure, and Absolute Stereochemistry of Platensimycin, A Broad Spectrum Antibiotic Discovered Using an Antisense Differential Sensitivity Strategy
Sheo B. Singh; Hiranthi Jayasuriya; John G. Ondeyka; Kithsiri B. Herath; Chaowei Zhang; Deborah L. Zink; Nancy N. Tsou; Richard G. Ball; Angela Basilio; Olga Genilloud; Maria Teresa Diez; Francisca Vicente; Fernando Pelaez; Katherine Young; Jun Wang; Journal of the American Chemical Society 128 (2006) 11916–11920; doi:10.1021/ja062232p

data_4110851
_publ_section_title
;
 Isolation, Structure, and Absolute Stereochemistry of Platensimycin, A
 Broad Spectrum Antibiotic Discovered Using an Antisense Differential
 Sensitivity Strategy
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11916
_journal_page_last               11920
_journal_paper_doi               10.1021/ja062232p
_journal_volume                  128
_journal_year                    2006
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C24 H26 Br N O7'
_chemical_formula_sum            'C24 H26 Br N O7'
_chemical_formula_weight         520.36
_chemical_name_common            sins0103a
_space_group_IT_number           19
_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             2006-01-03
_audit_creation_method           cif4csd
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.176(4)
_cell_length_b                   11.376(5)
_cell_length_c                   19.084(8)
_cell_volume                     2209.2(16)
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_radiation_type           'Mo K\a'
_diffrn_reflns_av_R_equivalents  0.1155
_diffrn_reflns_av_sigmaI/netI    0.1100
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            24342
_diffrn_reflns_theta_full        26.50
_diffrn_reflns_theta_max         26.50
_diffrn_reflns_theta_min         2.08
_exptl_absorpt_coefficient_mu    1.908
_exptl_absorpt_correction_T_max  0.894
_exptl_absorpt_correction_T_min  0.701
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.564
_exptl_crystal_F_000             1072
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.060
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.011(8)
_refine_ls_goodness_of_fit_ref   0.890
_refine_ls_number_parameters     295
_refine_ls_number_reflns         4561
_refine_ls_R_factor_gt           0.0383
_refine_ls_wR_factor_ref         0.0623
_reflns_number_gt                3167
_reflns_number_total             4561
_cod_data_source_file            ja062232psi20060408_034504.cif
_cod_data_source_block           MCY060
_cod_original_cell_volume        2209.2(15)
_cod_database_code               4110851