Information card for entry 2228290

Structure parameters

• Chemical name: 2,4,5-Trimethoxybenzaldehyde monohydrate
• Formula: C10 H14 O5
• Calculated formula: C10 H14 O5
• Title of publication: 2,4,5-Trimethoxybenzaldehyde monohydrate
• Authors of publication: Asiri, Abdullah M.; Khan, Salman A.; Tahir, M. Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3270
• a: 18.084 ± 0.005 Å
• b: 4.2456 ± 0.001 Å
• c: 14.6 ± 0.004 Å
• α: 90°
• β: 108.29 ± 0.009°
• γ: 90°
• Cell volume: 1064.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1232
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1688
• Weighted residual factors for all reflections included in the refinement: 0.2122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes