Information card for entry 1501828

Structure parameters

• Formula: C22 H33 O7
• Calculated formula: C22 H33 O7
• SMILES: [C@H]12O[C@@]2([C@@H](O)C=C([C@H]1O)CO)[C@@H](O)/C=C(C)/C[C@@H](O)/C=C(C)/CCC=C(C)C.O
• Title of publication: Arthrobotrisins A-C, oligosporons from the nematode-trapping fungus Arthrobotrys oligospora.
• Authors of publication: Wei, Lu-Xia; Zhang, Hui-Xiang; Tan, Jian-Lin; Chu, Yan-Sheng; Li, Nan; Xue, Hua-Xi; Wang, Yan-Li; Niu, Xue-Mei; Zhang, Ying; Zhang, Ke-Qin
• Journal of publication: Journal of natural products
• Year of publication: 2011
• Journal volume: 74
• Journal issue: 6
• Pages of publication: 1526 - 1530
• a: 7.726 ± 0.013 Å
• b: 6.353 ± 0.01 Å
• c: 23.42 ± 0.04 Å
• α: 90°
• β: 93.2 ± 0.02°
• γ: 90°
• Cell volume: 1148 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.15
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1917
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No