Information card for entry 3500094

Structure parameters

• Common name: 2,3,4-trimethoxybenzaldehyde
• Chemical name: Benzaldehyde, 2,3,4-trimethoxy-
• Formula: C10 H12 O4
• Calculated formula: C10 H12 O4
• Title of publication: 2,3,4-trimethoxybenzaldehyde
• Authors of publication: Thierry Maris
• Journal of publication: Personal communication to COD
• Year of publication: 2020
• a: 12.1064 ± 0.0006 Å
• b: 7.0963 ± 0.0003 Å
• c: 11.6561 ± 0.0005 Å
• α: 90°
• β: 109.926 ± 0.002°
• γ: 90°
• Cell volume: 941.43 ± 0.07 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0342
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes