Information card for entry 7244760

Structure parameters

• Formula: C20 H30 O4
• Calculated formula: C20 H30 O4
• SMILES: O[C@H]1C[C@@]2([C@@H]([C@@](C1)(C(=O)O)C)CC[C@@]13[C@H]2CC[C@@H]([C@H](C1=O)C)C3)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: 6.47 ± 0.0004 Å
• b: 7.6623 ± 0.0005 Å
• c: 9.8461 ± 0.0006 Å
• α: 78.562 ± 0.001°
• β: 79.556 ± 0.001°
• γ: 70.392 ± 0.002°
• Cell volume: 447.19 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0799
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No