Information card for entry 2238952

Structure parameters

• Chemical name: 4-Ethoxy-3-methoxybenzaldehyde
• Formula: C10 H12 O3
• Calculated formula: C10 H12 O3
• SMILES: CCOc1ccc(cc1OC)C=O
• Title of publication: 4-Ethoxy-3-methoxybenzaldehyde
• Authors of publication: Leka, Zorica; Novaković, Sladjana B.; Bogdanović, Goran A.; Muškinja, Jovana; Vukićević, Rastko D.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1728
• a: 11.5314 ± 0.0016 Å
• b: 8.7905 ± 0.0011 Å
• c: 9.3363 ± 0.0013 Å
• α: 90°
• β: 97.339 ± 0.014°
• γ: 90°
• Cell volume: 938.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0659
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No