Information card for entry 1548767

Structure parameters

• Formula: C15 H24 O2
• Calculated formula: C15 H24 O2
• SMILES: [C@H]1(CC[C@@H]2[C@@H]3[C@@H](C(=CC[C@H]13)CO)[C@H]([C@H]2C)O)C
• Title of publication: Revision of the Phytochemistry of Eremophila sturtii and E. mitchellii
• Authors of publication: Sadgrove, Nicholas J.; Klepp, Julian; Legendre, Sarah V.A.-M.; Lyddiard, Dane; Sumby, Christopher J.; Greatrex, Ben W.
• Journal of publication: Journal of Natural Products
• Year of publication: 2018
• a: 5.18407 ± 0.00015 Å
• b: 8.7085 ± 0.0003 Å
• c: 29.2276 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1319.49 ± 0.07 ų
• Cell temperature: 130.01 ± 0.1 K
• Ambient diffraction temperature: 130.01 ± 0.1 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: 0.0407
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No