Information card for entry 2200200

Structure parameters

• Chemical name: 2,3,4'-Trichlorobiphenyl
• Formula: C12 H7 Cl3
• Calculated formula: C12 H7 Cl3
• SMILES: c1(ccc(cc1)Cl)c1c(c(ccc1)Cl)Cl
• Title of publication: 2,3,4'-Trichlorobiphenyl
• Authors of publication: Lehmler, Hans-Joachim; Parkin, Sean; Robertson, Larry W.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: o111 - o112
• a: 3.901 ± 0.001 Å
• b: 17.398 ± 0.002 Å
• c: 15.749 ± 0.002 Å
• α: 90°
• β: 94.51 ± 0.01°
• γ: 90°
• Cell volume: 1065.6 ± 0.3 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 1 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for all reflections included in the refinement: 0.0539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No