Information card for entry 7154558

Structure parameters

• Common name: (1S, 4S, 6R, 10S)-1-hydroxysalvial-7(11)-ene-5,8-dione
• Chemical name: phasalvione
• Formula: C15 H22 O3
• Calculated formula: C15 H22 O3
• SMILES: O=C1[C@H]2C(=C(C)C)C(=O)C[C@]2(C)[C@@H](O)CC[C@@H]1C
• Title of publication: Natural nitric oxide (NO) inhibitors from the rhizomes of Curcuma phaeocaulis.
• Authors of publication: Ma, Jiang-Hao; Zhao, Feng; Wang, Ying; Liu, Yue; Gao, Su-Yu; Ding, Li-Qin; Chen, Li-Xia; Qiu, Feng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 30
• Pages of publication: 8349 - 8358
• a: 7.73264 ± 0.00017 Å
• b: 8.92045 ± 0.00017 Å
• c: 20.1079 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1387.02 ± 0.05 ų
• Cell temperature: 173 ± 0.3 K
• Ambient diffraction temperature: 173 ± 0.3 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: 0.0296
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No