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Information card for entry 1546958
Preview
Coordinates | 1546958.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H16 O5 |
---|---|
Calculated formula | C18 H16 O5 |
SMILES | Oc1c2c(cc(O)c1)CC(=O)c1c(C[C@H](OC2=O)C)cccc1 |
Title of publication | Antifungal and Cytotoxic β-Resorcylic Acid Lactones from a Paecilomyces Species. |
Authors of publication | Xu, Liangxiong; Wu, Ping; Xue, Jinghua; Molnar, Istvan; Wei, Xiaoyi |
Journal of publication | Journal of natural products |
Year of publication | 2017 |
Journal volume | 80 |
Journal issue | 8 |
Pages of publication | 2215 - 2223 |
a | 5.088 ± 0.0001 Å |
b | 11.946 ± 0.0002 Å |
c | 23.4043 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1422.54 ± 0.04 Å3 |
Number of distinct elements | 3 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.037 |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
295994 (current) | 2024-11-19 | Renamed data items '_geom_angle_atom_site_symbol_1', '_geom_angle_atom_site_symbol_2', '_geom_angle_atom_site_symbol_3', '_geom_bond_atom_site_symbol_1', '_geom_bond_atom_site_symbol_2', '_geom_torsion_atom_site_symbol_1', '_geom_torsion_atom_site_symbol_2', '_geom_torsion_atom_site_symbol_3', '_geom_torsion_atom_site_symbol_4' to '_geom_angle_atom_site_label_1', '_geom_angle_atom_site_label_2', '_geom_angle_atom_site_label_3', '_geom_bond_atom_site_label_1', '_geom_bond_atom_site_label_2', '_geom_torsion_atom_site_label_1', '_geom_torsion_atom_site_label_2', '_geom_torsion_atom_site_label_3', '_geom_torsion_atom_site_label_4' respectively. |
1546958.cif |
214153 | 2019-03-18 | cif/1 Fixing Z values and formulae |
1546958.cif |
200270 | 2017-09-07 | cif/ Adding structures of 1546958 via cif-deposit CGI script. |
1546958.cif |
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Users of the data should acknowledge the original authors of the
structural data.