Information card for entry 2226442

Structure parameters

• Chemical name: 2,3,6,7-Tetrakis(bromomethyl)naphthalene
• Formula: C14 H12 Br4
• Calculated formula: C14 H12 Br4
• SMILES: BrCc1cc2cc(CBr)c(cc2cc1CBr)CBr
• Title of publication: 2,3,6,7-Tetrakis(bromomethyl)naphthalene
• Authors of publication: Skibiński, Maciej; Azov, Vladimir A.; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1846 - o1847
• a: 6.6144 ± 0.0002 Å
• b: 7.177 ± 0.0002 Å
• c: 8.7761 ± 0.0003 Å
• α: 84.744 ± 0.003°
• β: 78.251 ± 0.003°
• γ: 64.555 ± 0.003°
• Cell volume: 368.32 ± 0.02 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0235
• Residual factor for significantly intense reflections: 0.016
• Weighted residual factors for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections included in the refinement: 0.0344
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes