Information card for entry 2225036

Structure parameters

• Common name: 1-Bromo-2-(4-methoxyphenoxy)ethane
• Chemical name: 1-Bromo-2-(4-methoxyphenoxy)ethane
• Formula: C9 H11 Br O2
• Calculated formula: C9 H11 Br O2
• SMILES: BrCCOc1ccc(OC)cc1
• Title of publication: 1-Bromo-2-(4-methoxyphenoxy)ethane
• Authors of publication: Shen, Lei; Hu, Yong-Hong; Yang, Wen-Ge; Zhao, Xiao-Lei; Yao, Jin-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o439
• a: 21.112 ± 0.004 Å
• b: 5.418 ± 0.0011 Å
• c: 8.323 ± 0.0017 Å
• α: 90°
• β: 94.54 ± 0.03°
• γ: 90°
• Cell volume: 949 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.1181
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes