Information card for entry 2007214

Structure parameters

• Formula: C40 H56 O12
• Calculated formula: C40 H56 O12
• SMILES: C1(=C)C(=C[C@]2([C@@]3([C@]4(CC[C@@H]([C@H]([C@@]4([C@@]12O)OC(=O)C3)O)C)O)C)O)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: 9.7509 ± 0.0005 Å
• b: 10.3005 ± 0.0008 Å
• c: 19.5609 ± 0.0013 Å
• α: 90°
• β: 101.937 ± 0.005°
• γ: 90°
• Cell volume: 1922.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.0829
• Goodness-of-fit parameter for all reflections: 1.036
• Goodness-of-fit parameter for significantly intense reflections: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Molybdenum
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes