Information card for entry 2201839

Structure parameters

• Chemical name: 1,6,7-Tris(bromomethyl)naphthalene
• Formula: C13 H11 Br3
• Calculated formula: C13 H11 Br3
• SMILES: BrCc1cccc2cc(c(cc12)CBr)CBr
• Title of publication: 1,6,7-Tris(bromomethyl)naphthalene
• Authors of publication: Kuś, Piotr; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o899 - o900
• a: 7.7316 ± 0.0006 Å
• b: 9.3716 ± 0.0008 Å
• c: 17.7245 ± 0.0014 Å
• α: 90°
• β: 93.835 ± 0.003°
• γ: 90°
• Cell volume: 1281.4 ± 0.18 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 3
• 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: 0.052
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes