Information card for entry 1561635

Structure parameters

• Chemical name: 4-(Diphenylmethoxy)-3-ethoxybenzaldehyde
• Formula: C22 H20 O3
• Calculated formula: C22 H20 O3
• SMILES: O(c1c(OCC)cc(cc1)C=O)C(c1ccccc1)c1ccccc1
• Title of publication: 4-(Diphenylmethoxy)-3-ethoxybenzaldehyde
• Authors of publication: Samoľová, Erika; Dehno Khalaji, Aliakbar; Eigner, Václav
• Journal of publication: IUCrData
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 4
• Pages of publication: x210356
• a: 8.1123 ± 0.0004 Å
• b: 15.8713 ± 0.0009 Å
• c: 27.6155 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3555.6 ± 0.3 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for significantly intense reflections: 1.5413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4369
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes