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_4107836
_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_formula_moiety         'C24 H19 N O9'
_chemical_formula_sum            'C24 H19 N O9'
_chemical_formula_weight         465.40
_chemical_name_common            parc0105a
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_audit_creation_date             2007-12-05
_audit_creation_method           cif4csd
_cell_angle_alpha                90.00
_cell_angle_beta                 97.816(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   5.9784(9)
_cell_length_b                   22.907(3)
_cell_length_c                   14.639(2)
_cell_volume                     1986.1(5)
_diffrn_ambient_temperature      100
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device       '\k-geometry diffractometer'
_diffrn_radiation_type           'Mo K\a'
_diffrn_reflns_av_R_equivalents  0.0455
_diffrn_reflns_av_sigmaI/netI    0.0637
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            24029
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         2.27
_exptl_absorpt_coefficient_mu    0.121
_exptl_absorpt_correction_T_max  0.995
_exptl_absorpt_correction_T_min  0.953
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_density_diffrn    1.556
_exptl_crystal_F_000             968
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.040
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   1.8(8)
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_number_parameters     619
_refine_ls_number_reflns         9429
_refine_ls_R_factor_gt           0.0477
_refine_ls_wR_factor_ref         0.1192
_reflns_number_gt                7037
_reflns_number_total             9429
_cod_data_source_file            ja711209p-file004.cif
_cod_data_source_block           MDA048
_cod_original_cell_volume        1986.2(5)
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4107836