Information card for entry 2011410

Structure parameters

• Common name: 3-Hydroxycyclopent-2-enone
• Chemical name: 3-Hydroxycyclopent-2-enone
• Formula: C5 H6 O2
• Calculated formula: C5 H6 O2
• SMILES: O=C1C(=CCC1)O
• Title of publication: Two crystalline modifications of 2-hydroxycyclopent-2-enone
• Authors of publication: Gerrard, Juliet A.; Meade, Susie J.; Morris, Jonathan C.; Steel, Peter J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 1251 - 1253
• a: 5.37 ± 0.005 Å
• b: 8.971 ± 0.008 Å
• c: 9.92 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 477.9 ± 0.8 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.0451
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections included in the refinement: 0.0697
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes