Information card for entry 7229152

Structure parameters

• Chemical name: secopierisformoside N
• Formula: C32 H42 O15.26
• Calculated formula: C32 H42 O15.263
• Title of publication: Biological and chemical guided isolation of 3,4-secograyanane diterpenoids from the roots of Pieris formosa
• Authors of publication: Niu, Chang-Shan; Li, Yong; Liu, Yun-Bao; Ma, Shuang-Gang; Liu, Fei; Li, Li; Xu, Song; Wang, Xiao-Jing; Liu, Sheng; Wang, Ru-Bing; Qu, Jing; Yu, Shi-Shan
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 69
• Pages of publication: 43921
• a: 12.7605 ± 0.0003 Å
• b: 15.5108 ± 0.0005 Å
• c: 16.9324 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3351.35 ± 0.16 ų
• Cell temperature: 102.8 K
• Ambient diffraction temperature: 102.8 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: 0.0388
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0951
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No