Information card for entry 2228458

Structure parameters

• Chemical name: (3<i>R</i>,6<i>R</i>,12<i>R</i>,20<i>S</i>,24<i>S</i>)- 20,24-Epoxydammarane-3,6,12,25-tetraol dihydrate
• Formula: C30 H56 O7
• Calculated formula: C30 H56 O7
• SMILES: CC1(C)[C@@H](CC[C@@]2([C@@H]1[C@@H](C[C@@]1(C)[C@H]2C[C@@H]([C@@H]2[C@]1(C)CC[C@H]2[C@@]1(C)CC[C@@H](C(C)(C)O)O1)O)O)C)O.O.O
• Title of publication: (3<i>R</i>,6<i>R</i>,12<i>R</i>,20<i>S</i>,24<i>S</i>)-20,24-Epoxydammarane-3,6,12,25-tetraol dihydrate
• Authors of publication: Meng, Qing-Guo; Liu, Lian-Dong; Guo, Huan-Mei; Bi, Yi; Wang, Liang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3210
• a: 11.4575 ± 0.0015 Å
• b: 15.457 ± 0.002 Å
• c: 16.726 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2962.2 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0469
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes