Information card for entry 7231394

Structure parameters

• Formula: C31 H34 O8
• Calculated formula: C31 H34 O8
• Title of publication: Structural modification of oridonin via DAST induced rearrangement
• Authors of publication: Luo, Dong-Dong; Peng, Kai; Yang, Jia-Yu; Piyachaturawat, Pawinee; Saengsawang, Witchuda; Ao, Lei; Zhao, Wan-Zhou; Tang, Yu; Wan, Sheng-Biao
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 52
• Pages of publication: 29548
• a: 7.3902 ± 0.0004 Å
• b: 8.3748 ± 0.0005 Å
• c: 43.293 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2679.5 ± 0.3 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 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: 0.0564
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No