Information card for entry 2206141

Structure parameters

• Chemical name: 2,3-Dihydroxybenzaldehyde
• Formula: C7 H6 O3
• Calculated formula: C7 H6 O3
• SMILES: Oc1c(O)c(ccc1)C=O
• Title of publication: 2,3-Dihydroxybenzaldehyde
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2301 - o2302
• a: 12.409 ± 0.003 Å
• b: 3.768 ± 0.002 Å
• c: 13.349 ± 0.003 Å
• α: 90°
• β: 104.42 ± 0.03°
• γ: 90°
• Cell volume: 604.5 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.04
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes