Information card for entry 1520286

Structure parameters

• Formula: C17 H24 O3
• Calculated formula: C17 H24 O3
• SMILES: O1[C@@H]2[C@H]3[C@@H]([C@H]1CC=CCCCC(=O)OC2)[C@@H]1C[C@H]3CC1
• Title of publication: C17H24O3
• Authors of publication: Collins, Ian; Welford, Amanda; Tizzard, Graham J.; Hursthouse, Michael B.; Lamond, Steven J.
• Journal of publication: Crystal Structure Report Archive
• Year of publication: 2009
• Pages of publication: 1228
• a: 5.7992 ± 0.0006 Å
• b: 12.0419 ± 0.001 Å
• c: 20.795 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1452.2 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1277
• Residual factor for significantly intense reflections: 0.1016
• Weighted residual factors for significantly intense reflections: 0.2538
• Weighted residual factors for all reflections included in the refinement: 0.267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No