Information card for entry 2244211

Structure parameters

• Chemical name: Ethyl 4-[(4-methylbenzyl)oxy]benzoate
• Formula: C17 H18 O3
• Calculated formula: C17 H18 O3
• Title of publication: Crystal structure of ethyl 4-[(4-methylbenzyl)oxy]benzoate
• Authors of publication: Banna, Md. Hasan Al; Ansary, Md. Rezaul Haque; Miyatake, Ryuta; Sheikh, Md. Chanmiya; Zangrando, Ennio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2022
• Journal volume: 78
• Journal issue: 10
• Pages of publication: 1077 - 1080
• a: 16.1906 ± 0.001 Å
• b: 7.5752 ± 0.0004 Å
• c: 17.7591 ± 0.0009 Å
• α: 90°
• β: 95.36 ± 0.007°
• γ: 90°
• Cell volume: 2168.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1118
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes