Information card for entry 2214014

Structure parameters

• Common name: 4,10-dibromo-2,8-dimethyl Tröger's base
• Chemical name: 4,10-Dibromo-2,8-dimethyl-6<i>H</i>,12<i>H</i>-5,11- methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine
• Formula: C17 H16 Br2 N2
• Calculated formula: C17 H16 Br2 N2
• SMILES: Brc1c2N3Cc4c(N(Cc2cc(c1)C)C3)c(Br)cc(c4)C
• Title of publication: 4,10-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; Try, Andrew C.; Turner, Peter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o3030 - o3030
• a: 10.169 ± 0.004 Å
• b: 11.477 ± 0.005 Å
• c: 15.269 ± 0.006 Å
• α: 104.259 ± 0.006°
• β: 106.185 ± 0.006°
• γ: 103.093 ± 0.006°
• Cell volume: 1573.1 ± 1.1 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: 0.0752
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1164
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes