Information card for entry 2213924

Structure parameters

• Chemical name: (2,3-Dihydro-1,4-benzodioxin-2-yl)methanol
• Formula: C9 H10 O3
• Calculated formula: C9 H10 O3
• SMILES: c12ccccc1OC(CO2)CO
• Title of publication: (2,3-Dihydro-1,4-benzodioxin-2-yl)methanol
• Authors of publication: Díaz Gavilán, Mónica; Choquesillo-Lazarte, Duane; Campos, Joaquín M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2940 - o2940
• a: 22.5161 ± 0.001 Å
• b: 22.5161 ± 0.001 Å
• c: 6.34 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3214.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes