Information card for entry 2217526

Structure parameters

• Common name: Dichlorodiphenoxymethane
• Chemical name: Dichlorodiphenoxymethane
• Formula: C13 H10 Cl2 O2
• Calculated formula: C13 H10 Cl2 O2
• SMILES: ClC(Cl)(Oc1ccccc1)Oc1ccccc1
• Title of publication: Dichlorodiphenoxymethane
• Authors of publication: Betz, Richard; Klüfers, Peter; Reichvilser, Moritz M.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: o354 - o354
• a: 15.838 ± 0.0004 Å
• b: 5.8973 ± 0.0002 Å
• c: 14.2517 ± 0.0004 Å
• α: 90°
• β: 114.751 ± 0.002°
• γ: 90°
• Cell volume: 1208.85 ± 0.06 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: 0.0567
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes