Information card for entry 7244764

Structure parameters

• Formula: C20 H34 O7
• Calculated formula: C20 H34 O7
• SMILES: O1[C@@H]2[C@@H]3[C@@]4(CC[C@@H]5[C@](CCC[C@@]35C)(C)C(=O)O)C[C@@H]([C@@H]2O)[C@@]1([C@H]4O)C.O.O
• 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: 7.43 ± 0.0003 Å
• b: 12.1373 ± 0.0005 Å
• c: 21.6486 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1952.27 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0404
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No