Information card for entry 4100272

Structure parameters

• Formula: C17 H28 O2
• Calculated formula: C17 H28 O2
• SMILES: O[C@]12[C@](CC1)(CC=C(CCC=C(CC[C@H]2O)C)C)C.O[C@@]12[C@@](CC1)(CC=C(CCC=C(CC[C@@H]2O)C)C)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 12.236 ± 0.003 Å
• b: 23.692 ± 0.006 Å
• c: 10.969 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3179.9 ± 1.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No