Information card for entry 8100194

Structure parameters

• Formula: C25 H38 O3
• Calculated formula: C25 H38 O3
• SMILES: o1ccc([C@H](O)C[C@@H]2[C@]3(CC[C@@H]4C(CCC[C@]4([C@@H]3C[C@]2(C=O)C)C)(C)C)C)c1
• Title of publication: Crystal structure of hyrtiosal, C~25~H~38~O~3~
• Authors of publication: Yu, Zhi-Guo; Bi, Kai-Shun; Li, Zhen-Yu; Guo, Yue-Wei
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 4
• Pages of publication: 415 - 416
• a: 10.3394 ± 0.0012 Å
• b: 7.3758 ± 0.0009 Å
• c: 14.3665 ± 0.0017 Å
• α: 90°
• β: 90.313 ± 0.002°
• γ: 90°
• Cell volume: 1095.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No