Information card for entry 8106542

Structure parameters

• Formula: C15 H24 O3
• Calculated formula: C15 H24 O3
• SMILES: O=C1[C@@H](C[C@@]2([C@H](CC[C@H](O)C2=C1)C)C)C(O)(C)C
• Title of publication: Crystal structure of 1α,11-dihydroxyeremophil-9-en-8-one, C15H24O3
• Authors of publication: Morales, Glauco; Paredes, Adrián; Brito, Iván; Cárdenas, Alejandro
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 3
• Pages of publication: 379 - 381
• a: 7.5352 ± 0.0002 Å
• b: 10.6639 ± 0.0003 Å
• c: 17.5406 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1409.47 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No