Information card for entry 7151193

Structure parameters

• Formula: C16 H21 Cl O10
• Calculated formula: C16 H21 Cl O10
• SMILES: C1(=C[C@H](O)[C@H](O)[C@@H]([C@H]1Cl)O[C@H]1C(=C[C@@H](O)[C@@H](O)[C@H]1O)C(=O)OC)C(=O)OC.C1(=C[C@@H](O)[C@@H](O)[C@H]([C@@H]1Cl)O[C@@H]1C(=C[C@H](O)[C@H](O)[C@@H]1O)C(=O)OC)C(=O)OC
• Title of publication: Pericosines, antitumour metabolites from the sea hare-derived fungus Periconia byssoides. Structures and biological activities.
• Authors of publication: Yamada, Takeshi; Iritani, Masashi; Ohishi, Hirohumi; Tanaka, Kayo; Minoura, Katsuhiko; Doi, Mitsunobu; Numata, Atsushi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 24
• Pages of publication: 3979 - 3986
• a: 9.516 ± 0.01 Å
• b: 16.66 ± 0.02 Å
• c: 6.226 ± 0.004 Å
• α: 98.72 ± 0.09°
• β: 105.35 ± 0.07°
• γ: 98.72 ± 0.11°
• Cell volume: 921.6 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1701
• Residual factor for significantly intense reflections: 0.103
• Weighted residual factors for significantly intense reflections: 0.2516
• Weighted residual factors for all reflections included in the refinement: 0.2954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No