Pericosines, antitumour metabolites from the sea hare-derived fungus Periconia byssoides. Structures and biological activities.
Yamada, Takeshi; Iritani, Masashi; Ohishi, Hirohumi; Tanaka, Kayo; Minoura, Katsuhiko; Doi, Mitsunobu; Numata, Atsushi; Organic & biomolecular chemistry 5 (2007) 3979–3986; doi:10.1039/b713060k

data_7151193
_publ_section_title
;
 Pericosines, antitumour metabolites from the sea hare-derived fungus
 Periconia byssoides. Structures and biological activities.
;
_journal_issue                   24
_journal_name_full               'Organic &amp; biomolecular chemistry'
_journal_page_first              3979
_journal_page_last               3986
_journal_paper_doi               10.1039/b713060k
_journal_volume                  5
_journal_year                    2007
_chemical_formula_moiety         'C16 H21 Cl O10'
_chemical_formula_sum            'C16 H21 Cl O10'
_chemical_formula_weight         408.78
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                98.72(9)
_cell_angle_beta                 105.35(7)
_cell_angle_gamma                98.72(11)
_cell_formula_units_Z            2
_cell_length_a                   9.516(10)
_cell_length_b                   16.66(2)
_cell_length_c                   6.226(4)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      35
_cell_measurement_theta_min      17
_cell_volume                     921.6(17)
_computing_cell_refinement       'MSC/AFC Diffractmeter Control Software'
_computing_data_collection       'MSC/AFC Diffractmeter Control Software'
_computing_data_reduction        'MSC/AFC Diffractmeter Control Software'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device       'Rigaku AFC5R'
_diffrn_measurement_method       2\t-\w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku RU200 rotating anode'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.1335
_diffrn_reflns_av_sigmaI/netI    0.0759
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       6
_diffrn_reflns_limit_l_min       -6
_diffrn_reflns_number            2907
_diffrn_reflns_theta_full        60.22
_diffrn_reflns_theta_max         60.22
_diffrn_reflns_theta_min         2.74
_diffrn_standards_decay_%        2.0
_diffrn_standards_interval_count 150
_diffrn_standards_interval_time  80
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    2.328
_exptl_absorpt_correction_T_max  0.97
_exptl_absorpt_correction_T_min  0.54
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.473
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             428
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.491
_refine_diff_density_min         -0.590
_refine_diff_density_rms         0.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     244
_refine_ls_number_reflns         2718
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.1701
_refine_ls_R_factor_gt           0.1030
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0806P)^2^+8.9857P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2516
_refine_ls_wR_factor_ref         0.2954
_reflns_number_gt                1688
_reflns_number_total             2718
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            b713060k.txt
_cod_data_source_block           numata3
_cod_original_cell_volume        921.8(18)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7151193