Information card for entry 7218940

Structure parameters

• Formula: C22 H28 O6
• Calculated formula: C22 H28 O6
• SMILES: O(CC)C[C@H]1C(=O)[C@@]23[C@H]([C@]45C(C(C)([C@H](OC4)CC5=O)C)=C(O)C3=O)CC[C@@H]1C2
• Title of publication: Laxiflorol A, the first example of 7,8:15,16-di-seco-15-nor-21-homo-ent-kauranoid from Isodon eriocalyx var. laxiflora
• Authors of publication: Wang, Wei-Guang; Tang, Jian-Wei; Shi, Yi-Ming; Du, Xue; Li, Xiao-Nian; Wu, Hai-Yan; Jiang, Hua-Yi; Li, Yan; Pu, Jian-Xin; Sun, Han-Dong
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 9.4749 ± 0.0003 Å
• b: 11.6421 ± 0.0003 Å
• c: 17.1244 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1888.95 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0354
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No