Information card for entry 1546701

Structure parameters

• Chemical name: 1,4-Bis[(oxan-2-yl)oxy]benzene
• Formula: C16 H22 O4
• Calculated formula: C16 H22 O4
• SMILES: O1[C@@H](Oc2ccc(O[C@H]3OCCCC3)cc2)CCCC1
• Title of publication: 1,4-Bis[(oxan-2-yl)oxy]benzene
• Authors of publication: Raj, Radhakrishnan Mohan; Lekha, Logu; Viswanathan, Vijayan; Velmurugan, Devadasan; Easwaramoorthy, Deivanayagam
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 5
• Pages of publication: x170717
• a: 6.767 ± 0.005 Å
• b: 6.817 ± 0.005 Å
• c: 15.864 ± 0.005 Å
• α: 90°
• β: 99.391 ± 0.005°
• γ: 90°
• Cell volume: 722 ± 0.8 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes