Information card for entry 2201029

Structure parameters

• Chemical name: 2,3-Dihydro-2-hydroxybenzo[b]furan-3-one
• Formula: C8 H6 O3
• Calculated formula: C8 H6 O3
• SMILES: OC1Oc2c(C1=O)cccc2
• Title of publication: 2,3-Dihydro-2-hydroxybenzo[<i>b</i>]furan-3-one
• Authors of publication: Kresge, A. J.; Lough, Alan J.; Meng, Q.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o495 - o497
• a: 11.0278 ± 0.0002 Å
• b: 7.7486 ± 0.0005 Å
• c: 15.7861 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1348.92 ± 0.11 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes