Isolation and Structure Elucidation of Parnafungins, Antifungal Natural Products that Inhibit mRNA Polyadenylation
Craig A. Parish; Scott K. Smith; Kathleen Calati; Deborah Zink; Kenneth Wilson; Terry Roemer; Bo Jiang; Deming Xu; Gerald Bills; Gonzalo Platas; Fernando Peláez; Maria Teresa Díez; Nancy Tsou; Arlene E. McKeown; Richard G. Ball; Mary Ann Powles; Lai Yeung; Paul Liberator; Guy Harris; Journal of the American Chemical Society 130 (2008) 7060–7066; doi:10.1021/ja711209p

data_4107837
_publ_section_title
;
 Isolation and Structure Elucidation of Parnafungins, Antifungal Natural
 Products that Inhibit mRNA Polyadenylation
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7060
_journal_page_last               7066
_journal_paper_doi               10.1021/ja711209p
_journal_volume                  130
_journal_year                    2008
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C30 H22 Cl N O9'
_chemical_formula_sum            'C30 H22 Cl N O9'
_chemical_formula_weight         575.94
_chemical_name_common            parc0107b
_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             2007-12-05
_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                   7.6433(7)
_cell_length_b                   11.0235(10)
_cell_length_c                   29.784(3)
_cell_volume                     2509.5(4)
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_radiation_type           'Mo K\a'
_diffrn_reflns_av_R_equivalents  0.0746
_diffrn_reflns_av_sigmaI/netI    0.0590
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -39
_diffrn_reflns_number            33867
_diffrn_reflns_theta_full        28.20
_diffrn_reflns_theta_max         28.20
_diffrn_reflns_theta_min         1.97
_exptl_absorpt_coefficient_mu    0.21
_exptl_absorpt_correction_T_max  0.995
_exptl_absorpt_correction_T_min  0.770
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            clear
_exptl_crystal_density_diffrn    1.524
_exptl_crystal_F_000             1192
_exptl_crystal_size_max          0.280
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.025
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(7)
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_number_parameters     373
_refine_ls_number_reflns         6132
_refine_ls_R_factor_gt           0.0424
_refine_ls_wR_factor_ref         0.0942
_reflns_number_gt                4451
_reflns_number_total             6132
_cod_data_source_file            ja711209p-file005.cif
_cod_data_source_block           MDC071
_cod_database_code               4107837