Information card for entry 2219444

Structure parameters

• Common name: 2,8-dibromo-4,10-dichloro Tröger's base
• Chemical name: 2,8-Dibromo-4,10-dichloro-6<i>H</i>,12<i>H</i>-5,11- methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine
• Formula: C15 H10 Br2 Cl2 N2
• Calculated formula: C15 H10 Br2 Cl2 N2
• SMILES: Brc1cc(Cl)c2c(c1)CN1CN2Cc2c1c(Cl)cc(c2)Br
• Title of publication: 2,8-Dibromo-4,10-dichloro-6<i>H</i>,12<i>H</i>-5,11-methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine
• Authors of publication: Zhu, Kai-Xian; Craig, Donald C.; Try, Andrew C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1797
• a: 7.91 ± 0.002 Å
• b: 12.601 ± 0.003 Å
• c: 15.23 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1518 ± 0.7 ų
• Cell temperature: 294 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.61
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes