Information card for entry 2001412

Structure parameters

• Common name: 3-Epiryanodol
• Chemical name: 3-Epiryanodol
• Formula: C20 H32 O8
• Calculated formula: C20 H32 O8
• SMILES: C[C@H]1CC[C@]2([C@@]3([C@@H]1O)O[C@@]1([C@@]4([C@@]3(O)[C@@]([C@@]2(C)C1)(O)[C@H]([C@]4(O)C(C)C)O)C)O)O
• Title of publication: Structure of 3-epiryanodol: a heptahydro diterpene
• Authors of publication: Michel, A. G.; Drouin, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 9
• Pages of publication: 1685 - 1688
• a: 9.0995 ± 0.0006 Å
• b: 13.0675 ± 0.0007 Å
• c: 16.3219 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1940.8 ± 0.18 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.046
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.029
• Goodness-of-fit parameter for significantly intense reflections: 1.44
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No