Information card for entry 7229150

Structure parameters

• Chemical name: secopierisformoside A
• Formula: C33 H44 O16
• Calculated formula: C33 H44 O16
• 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: 8.6705 ± 0.0004 Å
• b: 18.615 ± 0.0009 Å
• c: 18.7494 ± 0.0007 Å
• α: 64.176 ± 0.004°
• β: 89.183 ± 0.003°
• γ: 76.713 ± 0.004°
• Cell volume: 2638.3 ± 0.2 ų
• Cell temperature: 104.3 K
• Ambient diffraction temperature: 104.3 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: 0.0467
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1138
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No