Information card for entry 2007216

Structure parameters

• Common name: 2-deoxyryanodol
• Formula: C20 H34.5 O8.25
• Calculated formula: C20 H34.5 O8.125
• 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.O.O.O
• 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: 9.0121 ± 0.001 Å
• b: 18.08 ± 0.004 Å
• c: 25.476 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4151 ± 1.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 2 21 21
• Hall space group symbol: P 2bc 2
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for all reflections: 0.1585
• Weighted residual factors for significantly intense reflections: 0.1509
• Goodness-of-fit parameter for all reflections: 1.041
• Goodness-of-fit parameter for significantly intense reflections: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CopperKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No