Information card for entry 2210283

Structure parameters

• Common name: Dibromo Tröger's base
• Chemical name: 2,8-dibromo-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine
• Formula: C15 H12 Br2 N2
• Calculated formula: C15 H12 Br2 N2
• SMILES: Brc1ccc2N3Cc4c(N(Cc2c1)C3)ccc(Br)c4
• Title of publication: 2,8-Dibromo-6<i>H</i>,12<i>H</i>-5,11-methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine
• Authors of publication: Faroughi, Masoud; Try, Andrew C.; Turner, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3674 - o3675
• a: 6.364 ± 0.005 Å
• b: 10.42 ± 0.005 Å
• c: 10.815 ± 0.005 Å
• α: 82.967 ± 0.005°
• β: 76.878 ± 0.005°
• γ: 81.744 ± 0.005°
• Cell volume: 688.2 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0375
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.276
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes