Information card for entry 2011508

Structure parameters

• Chemical name: m-hydroxybenzaldehyde
• Formula: C7 H6 O2
• Calculated formula: C7 H6 O2
• SMILES: O=Cc1cc(O)ccc1
• Title of publication: 3-Hydroxybenzaldehyde
• Authors of publication: Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.; Serra, A.C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 11
• Pages of publication: 1348 - 1350
• a: 18.858 ± 0.007 Å
• b: 3.864 ± 0.001 Å
• c: 8.19 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 596.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes