Information card for entry 2237713

Structure parameters

• Chemical name: 1,2-Bis(4-methoxyphenoxy)ethane
• Formula: C16 H18 O4
• Calculated formula: C16 H18 O4
• SMILES: COc1ccc(cc1)OCCOc1ccc(cc1)OC
• Title of publication: 1,2-Bis(4-methoxyphenoxy)ethane
• Authors of publication: Ji, Jun; Zhang, XiuQin; Wang, Kai; Ju, ChaoFan; Chen, Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: o547
• a: 26.073 ± 0.004 Å
• b: 5.5538 ± 0.0008 Å
• c: 9.7591 ± 0.0014 Å
• α: 90°
• β: 102.211 ± 0.003°
• γ: 90°
• Cell volume: 1381.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.2244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes