Information card for entry 7244763

Structure parameters

• Formula: C20 H28 O4
• Calculated formula: C20 H28 O4
• SMILES: O[C@H]1C[C@@]2([C@@H]([C@@](C1)(C(=O)O)C)CC[C@]13[C@H]2CC[C@H](C1)C(=C)C3=O)C
• Title of publication: New ent-kaurane diterpenoid acids from Nouelia insignis Franch and their anti-inflammatory activity
• Authors of publication: Wu, Zhi-li; Li, Jia-yu; Huang, Peng-li; Sun, Ze-shi; Li, Hui-liang; Zhang, Wei-dong
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 18
• Pages of publication: 11155 - 11163
• a: 6.4502 ± 0.0003 Å
• b: 14.2302 ± 0.0006 Å
• c: 9.9729 ± 0.0004 Å
• α: 90°
• β: 98.573 ± 0.002°
• γ: 90°
• Cell volume: 905.16 ± 0.07 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No