Information card for entry 2239215

Structure parameters

• Chemical name: 3,3'-Bis(chloromethyl)-4,4'-diethoxy-1,1'-biphenyl
• Formula: C18 H20 Cl2 O2
• Calculated formula: C18 H20 Cl2 O2
• SMILES: CCOc1ccc(cc1CCl)c1ccc(c(c1)CCl)OCC
• Title of publication: 3,3'-Bis(chloromethyl)-4,4'-diethoxy-1,1'-biphenyl
• Authors of publication: Trad, Hager; Belkhiria, Mohamed Salah; Majdoub, Mustapha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 4
• Pages of publication: o387
• a: 4.984 ± 0.002 Å
• b: 11.598 ± 0.005 Å
• c: 14.578 ± 0.008 Å
• α: 90°
• β: 98.387 ± 0.002°
• γ: 90°
• Cell volume: 833.7 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0957
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1331
• Weighted residual factors for all reflections included in the refinement: 0.1485
• 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