Information card for entry 8100957

Structure parameters

• Formula: C20 H34 O2
• Calculated formula: C20 H34 O2
• SMILES: O[C@]1([C@H]2[C@@]3([C@@]([C@@H](O)C[C@@]4([C@H](CC[C@@H]34)C(C)C)C)(CC1)C)C2)C
• Title of publication: Crystal structure of 7-deacetylazorellanol, C~20~H~34~O~2~ , a deterpenoid from Azorella Compacta
• Authors of publication: Loyola, Luis Alberto; Bórquez, Jorge; Galdámez, Antonio; Manríquez, Víctor; San-Martín, Aurelio
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 2
• Pages of publication: 291 - 292
• a: 15.885 ± 0.003 Å
• b: 17.168 ± 0.003 Å
• c: 13.92 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3796.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 21
• Hermann-Mauguin space group symbol: C 2 2 2
• Hall space group symbol: C 2 2
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No