Information card for entry 7156664

Structure parameters

• Common name: Abinukitrine A
• Formula: C35 H49 N O4
• Calculated formula: C35 H49 N O4
• Title of publication: Abinukitrine A, a unique 17,18-cyclolanostane triterpenoid from Abies nukiangensis.
• Authors of publication: Li, Yong-Li; Xue, Li-Jun; Li, Jie; Chen, Li-Ming; Wu, Jian-Jun; Xu, Zhuo-Ni; Chen, Ying; Tian, Yu-Ping; Yang, Xian-Wen
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 2107 - 2109
• a: 36.5813 ± 0.0018 Å
• b: 6.2452 ± 0.0003 Å
• c: 13.6063 ± 0.0007 Å
• α: 90°
• β: 91.068 ± 0.004°
• γ: 90°
• Cell volume: 3107.9 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 169.96 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No