Information card for entry 2233919

Structure parameters

• Common name: Diethyl 4,4'-(3,6-dioxaoctane-1,8-diyldioxy)dibenzoate
• Chemical name: ethyl 4-[2-(2-{2-[4-(ethoxycarbonyl)phenoxy]ethoxy}ethoxy)ethoxy]benzoate
• Formula: C24 H30 O8
• Calculated formula: C24 H30 O8
• SMILES: CCOC(=O)c1ccc(cc1)OCCOCCOCCOc1ccc(cc1)C(=O)OCC
• Title of publication: Diethyl 4,4'-(3,6-dioxaoctane-1,8-diyldioxy)dibenzoate
• Authors of publication: Ma, Zhen; Qin, Haisha; Lai, Gang; Fan, Jingjie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: o714
• a: 9.2471 ± 0.0017 Å
• b: 12.53 ± 0.002 Å
• c: 13.275 ± 0.002 Å
• α: 90°
• β: 131.528 ± 0.01°
• γ: 90°
• Cell volume: 1151.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1016
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes