Information card for entry 4026067

Structure parameters

• Common name: epoxide or oxirane
• Formula: C2 H4 O
• Calculated formula: C2 H4 O
• Title of publication: Effect of Electron-Withdrawing Substituents on the Epoxide Ring: An Experimental and Theoretical Electron Density Analysis of a Series of Epoxide Derivatives
• Authors of publication: Simon Grabowsky; Tanja Schirmeister; Carsten Paulmann; Thomas Pfeuffer; Peter Luger
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 1305 - 1318
• a: 4.633 ± 0.005 Å
• b: 8.4 ± 0.001 Å
• c: 6.577 ± 0.003 Å
• α: 90°
• β: 100.37 ± 0.06°
• γ: 90°
• Cell volume: 251.8 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for all reflections included in the refinement: 0.0221
• RFsqd: 0.0315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.307
• Diffraction radiation wavelength: 0.71068 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No