Information card for entry 7239806

Structure parameters

• Formula: C30 H50 O9
• Calculated formula: C30 H50 O9
• Title of publication: Stewartiacids A–N, C-23 carboxylated triterpenoids from Chinese Stewartia and their inhibitory effects against ATP-citrate lyase and NF-κB
• Authors of publication: Wan, Jiang; Zang, Yi; Xiao, Dao-An; Li, Na; Li, Junmin; Jin, Ze-Xin; Chen, De-Lei; Xiong, Juan; Li, Jia; Hu, Jin-Feng
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 3343 - 3356
• a: 8.0649 ± 0.0006 Å
• b: 11.3973 ± 0.0008 Å
• c: 32.416 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2979.6 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 169.98 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: 0.1371
• Residual factor for significantly intense reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.2521
• Weighted residual factors for all reflections included in the refinement: 0.2937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No