Information card for entry 2224689

Structure parameters

• Chemical name: 2,4-Dichloro-1-[1-(2,4-dichlorobenzyloxy)ethyl]benzene
• Formula: C15 H12 Cl4 O
• Calculated formula: C15 H12 Cl4 O
• SMILES: Clc1c(ccc(Cl)c1)C(OCc1c(Cl)cc(Cl)cc1)C
• Title of publication: 2,4-Dichloro-1-[1-(2,4-dichlorobenzyloxy)ethyl]benzene
• Authors of publication: Jasinski, Jerry P.; Butcher, Ray J.; Chidan Kumar, C. S.; Yathirajan, H. S.; Narayana, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o165 - o166
• a: 9.3755 ± 0.0004 Å
• b: 9.9229 ± 0.0004 Å
• c: 9.9667 ± 0.0004 Å
• α: 62.313 ± 0.003°
• β: 70.246 ± 0.004°
• γ: 71.467 ± 0.004°
• Cell volume: 758.22 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes