Information card for entry 1517907

Structure parameters

• Formula: C30 H42 O4
• Calculated formula: C30 H42 O4
• SMILES: C(=O)([C@@]1(C[C@@H]2[C@H](C1)C[C@H]1C(=O)C3=C(C[C@H]4[C@](C/C=C/C(C)(C/C=C(/CC4)C)C)(C)O3)[C@@]21C)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: 7.6582 ± 0.0004 Å
• b: 6.5979 ± 0.0003 Å
• c: 26.7169 ± 0.0014 Å
• α: 90°
• β: 96.346 ± 0.002°
• γ: 90°
• Cell volume: 1341.68 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0542
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No