Information card for entry 2210290

Structure parameters

• Common name: Tetrabromo Tröger's base
• Chemical name: 2,4,8,10-tetrabromo-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine
• Formula: C15 H10 Br4 N2
• Calculated formula: C15 H10 Br4 N2
• SMILES: Brc1c2N3Cc4c(N(Cc2cc(Br)c1)C3)c(Br)cc(Br)c4
• Title of publication: 2,4,8,10-Tetrabromo-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: o3893 - o3894
• a: 8.04 ± 0.003 Å
• b: 12.475 ± 0.004 Å
• c: 15.331 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1537.7 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0512
• Weighted residual factors for all reflections included in the refinement: 0.0527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes