Information card for entry 2004862

Structure parameters

• Common name: Furan-2,5-dimethanol
• Chemical name: Furan-2,5-dimethanol
• Formula: C6 H8 O3
• Calculated formula: C6 H8 O3
• Title of publication: Multiple Hydrogen-Bonding Modes in Furan-2,5-dimethanol and Furan-2,5-diylbis(diphenylmethanol)
• Authors of publication: Glidewell, C.; Zakaria, C. M.; Ferguson, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1305 - 1309
• a: 4.922 ± 0.0005 Å
• b: 7.7525 ± 0.0006 Å
• c: 16.3663 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 624.5 ± 0.09 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P 21 c n
• Hall space group symbol: P -2n 2a
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for all reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.0783
• Goodness-of-fit parameter for all reflections: 1.045
• Goodness-of-fit parameter for significantly intense reflections: 1.113
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No