Information card for entry 2010876

Structure parameters

• Common name: 1,3,5-Tri(chloromethyl)benzene
• Formula: C9 H9 Cl3
• Calculated formula: C9 H9 Cl3
• SMILES: ClCc1cc(CCl)cc(c1)CCl
• Title of publication: 1,3,5-Tris(chloromethyl)benzene
• Authors of publication: Bryan, Jeffrey C.; Burnett, Michael N.; Sachleben, Richard A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 4
• Pages of publication: e167 - e167
• a: 8.7124 ± 0.0012 Å
• b: 9.0659 ± 0.0005 Å
• c: 12.7901 ± 0.0015 Å
• α: 87.537 ± 0.008°
• β: 86.992 ± 0.01°
• γ: 87.873 ± 0.008°
• Cell volume: 1007.3 ± 0.19 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No