Information card for entry 2007212

Structure parameters

• Common name: 2-deoxy-3epiryanodol
• Formula: C20 H32 O7
• Calculated formula: C20 H32 O7
• SMILES: [C@@]12([C@H]([C@@H]([C@]3([C@@]4([C@]5(CC[C@@H]([C@H]([C@@]5([C@@]13O)O[C@]2(C4)O)O)C)O)C)O)O)C(C)C)C
• Title of publication: 3D/2D Hydrogen-Bond Network Preferences for Five New Ryanoid Derivatives
• Authors of publication: Drouin, Marc; Dodier, Marco; Ruest, Luc
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 687 - 693
• a: 8.9913 ± 0.0005 Å
• b: 13.1001 ± 0.001 Å
• c: 16.6041 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1955.7 ± 0.2 ų
• Cell temperature: 293 ± 1 K
• Ambient diffraction temperature: 293 ± 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: 0.0313
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for all reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.0832
• Goodness-of-fit parameter for all reflections: 1.052
• Goodness-of-fit parameter for significantly intense reflections: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes