Information card for entry 2007371

Structure parameters

• Common name: Ethane-1,2-diol
• Chemical name: Ethane-1,2-diol
• Formula: C2 H6 O2
• Calculated formula: C2 H6 O2
• SMILES: OCCO
• Title of publication: 1,2-Ethanediol (Ethylene Glycol) at 130K
• Authors of publication: Boese, Roland; Weiss, Hans-Christoph
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 6
• Pages of publication: IUC9800024
• a: 5.013 ± 0.003 Å
• b: 6.915 ± 0.003 Å
• c: 9.271 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 321.4 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 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: 0.0544
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for all reflections: 0.1284
• Weighted residual factors for significantly intense reflections: 0.1254
• Goodness-of-fit parameter for all reflections: 1.121
• Goodness-of-fit parameter for significantly intense reflections: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No