Information card for entry 2234549

Structure parameters

• Chemical name: 2,3,6,7-Tetrabromo-9-butyl-9<i>H</i>-carbazole
• Formula: C16 H13 Br4 N
• Calculated formula: C16 H13 Br4 N
• SMILES: c1(Br)c(cc2c(c3cc(c(cc3n2CCCC)Br)Br)c1)Br
• Title of publication: 2,3,6,7-Tetrabromo-9-butyl-9<i>H</i>-carbazole
• Authors of publication: Novina, J. Josephine; Vasuki, G.; Kumar, Sushil; Thomas, K. R. Justin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1339
• a: 8.7127 ± 0.0004 Å
• b: 9.5712 ± 0.0004 Å
• c: 11.3379 ± 0.0005 Å
• α: 87.225 ± 0.002°
• β: 72.014 ± 0.002°
• γ: 67.673 ± 0.002°
• Cell volume: 829.3 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0643
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes