Information card for entry 1517908

Structure parameters

• Formula: C30 H42 O5
• Calculated formula: C30 H42 O5
• SMILES: C[C@@]1(C(=O)O)C[C@@H]2[C@H](C1)C[C@@H]1[C@@]2(C)C2=C(C1=O)O[C@@]1([C@@H](C2)CC/C(C)=C/CC(C)(C)C=CC1)C.O
• Title of publication: Sterhirsutins A and B, Two New Heterodimeric Sesquiterpenes with a New Skeleton from the Culture of Stereum hirsutum Collected in Tibet Plateau.
• Authors of publication: Qi, Qiu-Yue; Bao, Li; Ren, Jin-Wei; Han, Jun-Jie; Zhang, Zong-Yao; Li, Yi; Yao, Yi-Jian; Cao, Rui; Liu, Hong-Wei
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 19
• Pages of publication: 5092 - 5095
• a: 12.7999 ± 0.0009 Å
• b: 27.2648 ± 0.0016 Å
• c: 7.9116 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2761 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No