Information card for entry 2212386

Structure parameters

• Common name: 1,7-dibromo-2,8-dimethyl Tröger's base
• Chemical name: 1,7-dibromo-2,8-dimethyl-6H,12H-5,11-methanodibenzo[b,f][1,5]diazocine
• Formula: C17 H16 Br2 N2
• Calculated formula: C17 H16 Br2 N2
• SMILES: Cc1ccc2c(c1Br)CN1CN2Cc2c1ccc(c2Br)C
• Title of publication: 1,7-Dibromo-2,8-dimethyl-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; Turner, Peter; Try, Andrew C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o1045 - o1047
• a: 23.583 ± 0.007 Å
• b: 5.096 ± 0.002 Å
• c: 14.907 ± 0.004 Å
• α: 90°
• β: 121.921 ± 0.004°
• γ: 90°
• Cell volume: 1520.6 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.023
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes