Information card for entry 2105734

Structure parameters

• Formula: C17 H20 O10.25
• Calculated formula: C17 H20 O10.25
• Title of publication: Solvent‒guest control of two extremely similar tetrahydrofuran inclusion structures
• Authors of publication: Gao, Jiabin; Bhadbhade, Mohan M.; Bishop, Roger
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: 126 - 131
• a: 11.2247 ± 0.0004 Å
• b: 8.366 ± 0.0003 Å
• c: 21.5073 ± 0.0008 Å
• α: 90°
• β: 97.265 ± 0.002°
• γ: 90°
• Cell volume: 2003.45 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0883
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.2386
• Weighted residual factors for all reflections included in the refinement: 0.2544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes