Information card for entry 2236469

Structure parameters

• Chemical name: 1,1,1-Trichloro-2,2-bis(4-ethoxyphenyl)ethane
• Formula: C18 H19 Cl3 O2
• Calculated formula: C18 H19 Cl3 O2
• SMILES: ClC(Cl)(Cl)C(c1ccc(OCC)cc1)c1ccc(OCC)cc1
• Title of publication: 1,1,1-Trichloro-2,2-bis(4-ethoxyphenyl)ethane
• Authors of publication: Smith, Graham
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3219
• a: 23.4405 ± 0.0007 Å
• b: 9.8835 ± 0.0002 Å
• c: 7.7924 ± 0.0002 Å
• α: 90°
• β: 99.536 ± 0.003°
• γ: 90°
• Cell volume: 1780.35 ± 0.08 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0648
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.0818
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 0.905
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes