Information card for entry 1547498

Structure parameters

• Formula: C15 H18 O5
• Calculated formula: C15 H18 O5
• SMILES: O1C(=O)C(=C2C[C@H]3[C@@](C=CC(=O)[C@@]3(C[C@]12O)C)(O)C)C
• Title of publication: Anti-inflammatory Activity of Eudesmane-Type Sesquiterpenoids from Salvia plebeia.
• Authors of publication: Jang, Hyun-Jae; Lee, Soyoung; Lee, Seung-Jae; Lim, Hyung-Jin; Jung, Kyungsook; Kim, Young Ho; Lee, Seung Woong; Rho, Mun-Chual
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 10
• Pages of publication: 2666 - 2676
• a: 9.7788 ± 0.0002 Å
• b: 9.8113 ± 0.0002 Å
• c: 13.9226 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1335.77 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0757
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No