Information card for entry 7229410

Structure parameters

• Formula: C23 H30 O5
• Calculated formula: C23 H30 O5
• SMILES: O1c2c(C[C@@]31[C@H](C)CC[C@H]1C(C)([C@H](O)CC[C@]31C)C)c(O)cc1C(=O)OCc21
• Title of publication: Antiviral and anti-inflammatory meroterpenoids: stachybonoids A‒F from the crinoid-derived fungus Stachybotrys chartarum 952
• Authors of publication: Zhang, Panpan; Li, Yongfang; Jia, Chunxiu; Lang, Jiajia; Niaz, Shah-Iram; Li, Jing; Yuan, Jie; Yu, Jianchen; Chen, Senhua; Liu, Lan
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 79
• Pages of publication: 49910
• a: 10.8825 ± 0.0001 Å
• b: 13.4584 ± 0.0001 Å
• c: 13.6472 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1998.78 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.028
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No