Information card for entry 2234345

Structure parameters

• Common name: 4,16-dibromo-8,12-dibutyltetracyclo[8.8.0.0^2,7^.0^13,18^]octadeca- 1(10),2(7),3,5,8,11,13(18),14,16-nonaene
• Chemical name: 2,11-Dibromo-5,8-dibutyl[4]helicene
• Formula: C26 H26 Br2
• Calculated formula: C26 H26 Br2
• SMILES: Brc1cc2c3c4cc(Br)ccc4c(cc3cc(c2cc1)CCCC)CCCC
• Title of publication: 2,11-Dibromo-5,8-dibutyl[4]helicene
• Authors of publication: Isobe, Hiroyuki; Matsuno, Taisuke; Hitosugi, Shunpei; Nakanishi, Waka
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1239
• a: 7.611 ± 0.002 Å
• b: 13.394 ± 0.004 Å
• c: 22.552 ± 0.007 Å
• α: 75.012 ± 0.004°
• β: 84.682 ± 0.004°
• γ: 79.067 ± 0.004°
• Cell volume: 2178.2 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0536
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0693
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes