Information card for entry 2228743

Structure parameters

• Chemical name: 4-Bromo-2-[1-(4-ethoxyphenyl)-1-methylethyl]-1-methylbenzene
• Formula: C18 H21 Br O
• Calculated formula: C18 H21 Br O
• SMILES: Brc1ccc(C)c(c1)C(C)(C)c1ccc(OCC)cc1
• Title of publication: 4-Bromo-2-[1-(4-ethoxyphenyl)-1-methylethyl]-1-methylbenzene
• Authors of publication: Li, Yan; Kong, Xue; Chen, Guan-Hong; Chi, Jian-Guo; Wang, Jia-Ning
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o21
• a: 11.164 ± 0.002 Å
• b: 9.5142 ± 0.0019 Å
• c: 16.135 ± 0.003 Å
• α: 90°
• β: 110.21 ± 0.03°
• γ: 90°
• Cell volume: 1608.3 ± 0.6 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0723
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes