Information card for entry 2216332

Structure parameters

• Chemical name: 2-Hydroxy-5-methylbenzene-1,3-dicarbaldehyde
• Formula: C11 H12 O3
• Calculated formula: C11 H12 O3
• SMILES: O=C(C)c1c(O)c(cc(c1)C)C(=O)C
• Title of publication: 2-Hydroxy-5-methylbenzene-1,3-dicarbaldehyde
• Authors of publication: Chen, Deng-Tai; Tian, Lai-Jin; Wang, Hai-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4925 - o4925
• a: 9.1404 ± 0.0003 Å
• b: 16.0798 ± 0.0005 Å
• c: 7.2639 ± 0.0002 Å
• α: 90°
• β: 109.601 ± 0.002°
• γ: 90°
• Cell volume: 1005.75 ± 0.05 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes