Information card for entry 1530392

Structure parameters

• Formula: C29 H44 O4
• Calculated formula: C29 H44 O4
• SMILES: O[C@H]1C([C@@H]2CC=C3[C@]4([C@]5(O[C@@]5([C@@H](C[C@@H]5O[C@H]5C(=O)C)C)CC4)[C@@H](C[C@H]3[C@]2(CC1)C)C)C)(C)C
• Title of publication: Kadcoccinones A-F, New Biogenetically Related Lanostane-Type Triterpenoids with Diverse Skeletons from Kadsura coccinea.
• Authors of publication: Hu, Zheng-Xi; Shi, Yi-Ming; Wang, Wei-Guang; Li, Xiao-Nian; Du, Xue; Liu, Miao; Li, Yan; Xue, Yong-Bo; Zhang, Yong-Hui; Pu, Jian-Xin; Sun, Han-Dong
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 18
• Pages of publication: 4616 - 4619
• a: 7.357 ± 0.0003 Å
• b: 11.5004 ± 0.0005 Å
• c: 15.8083 ± 0.0006 Å
• α: 101.789 ± 0.002°
• β: 102.383 ± 0.002°
• γ: 90.228 ± 0.001°
• Cell volume: 1277.24 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0967
• Residual factor for significantly intense reflections: 0.0954
• Weighted residual factors for significantly intense reflections: 0.2396
• Weighted residual factors for all reflections included in the refinement: 0.2429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.183
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No