Information card for entry 2218752

Structure parameters

• Chemical name: 2,2-Bis(3-chloromethyl-4-ethoxyphenyl)propane
• Formula: C21 H26 Cl2 O2
• Calculated formula: C21 H26 Cl2 O2
• SMILES: CCOc1ccc(cc1CCl)C(c1ccc(c(c1)CCl)OCC)(C)C
• Title of publication: 2,2-Bis(3-chloromethyl-4-ethoxyphenyl)propane
• Authors of publication: Jaballah, Nejmeddine; Guerfel, Taha; Majdoub, Mustapha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 7
• Pages of publication: o1360
• a: 13.856 ± 0.005 Å
• b: 15.185 ± 0.006 Å
• c: 10.999 ± 0.004 Å
• α: 90°
• β: 118.82 ± 0.03°
• γ: 90°
• Cell volume: 2027.6 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for all reflections included in the refinement: 0.1177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes