Information card for entry 2227837

Structure parameters

• Common name: 1,2-Bis(4-methylphenoxy)ethane
• Chemical name: 1-methyl-4-[2-(4-methylphenoxy)ethoxy]benzene
• Formula: C16 H18 O2
• Calculated formula: C16 H18 O2
• SMILES: Cc1ccc(cc1)OCCOc1ccc(cc1)C
• Title of publication: 1,2-Bis(4-methylphenoxy)ethane
• Authors of publication: Wang, Lu-lu; Yang, Wen-ge; Zhu, Jing; Wang, Kai; Hu, Yong-hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o3000
• a: 27.173 ± 0.005 Å
• b: 5.551 ± 0.0011 Å
• c: 9.278 ± 0.0019 Å
• α: 90°
• β: 93.55 ± 0.03°
• γ: 90°
• Cell volume: 1396.8 ± 0.5 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: 0.1234
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes