Information card for entry 2240851

Structure parameters

• Common name: 3-(Hydroxymethyl)chromone
• Chemical name: 3-(Hydroxymethyl)-4<i>H</i>-chromen-4-one
• Formula: C10 H8 O3
• Calculated formula: C10 H8 O3
• SMILES: o1cc(c(=O)c2ccccc12)CO
• Title of publication: Crystal structure of 3-(hydroxymethyl)chromone
• Authors of publication: Ishikawa, Yoshinobu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 7
• Pages of publication: o495
• a: 6.756 ± 0.004 Å
• b: 7.988 ± 0.006 Å
• c: 7.991 ± 0.006 Å
• α: 94.48 ± 0.06°
• β: 108.27 ± 0.05°
• γ: 103.31 ± 0.05°
• Cell volume: 393.2 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.2023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes