Information card for entry 1552628

Structure parameters

• Formula: C15 H22 O4
• Calculated formula: C15 H22 O4
• SMILES: C1CC[C@@H]([C@]2([C@H]3[C@@]4([C@@]([C@@H]([C@@H]12)O)(O)OCC4=C)O3)C)C
• Title of publication: Isolation of Peribysins O, P, and Q from Periconia macrospinosa KT3863 and Configurational Reinvestigation of Peribysin E Diacetate from Periconia byssoides OUPS-N133.
• Authors of publication: Inose, Kota; Tanaka, Kazuaki; Yamada, Takeshi; Koshino, Hiroyuki; Hashimoto, Masaru
• Journal of publication: Journal of natural products
• Year of publication: 2019
• Journal volume: 82
• Journal issue: 4
• Pages of publication: 911 - 918
• a: 6.8238 ± 0.001 Å
• b: 11.3682 ± 0.0018 Å
• c: 17.66 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1370 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0873
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No