Information card for entry 1508936

Structure parameters

• Formula: C32 H34 O7
• Calculated formula: C32 H34 O7
• SMILES: O=C1[C@@H]2[C@H]([C@]3([C@@H](CC[C@H]4[C@@]3(Oc3c(C(=O)/C=C/c5ccc(OC)cc5)c(O)cc(OC)c43)C1=O)C)C)C2(C)C
• Title of publication: Nardoaristolones A and B, Two Terpenoids with Unusual Skeletons from Nardostachys chinensis Batal.
• Authors of publication: Liu, Ming-Li; Duan, Ying-Hui; Hou, Yun-Long; Li, Chang; Gao, Hao; Dai, Yi; Yao, Xin-Sheng
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 1000 - 1003
• a: 11.84571 ± 0.00019 Å
• b: 13.0433 ± 0.0002 Å
• c: 17.6965 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2734.24 ± 0.08 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 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: 0.0505
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1379
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No