Information card for entry 2220669

Structure parameters

• Common name: 1,7-Diethyl ester Tröger's base
• Chemical name: Diethyl 6<i>H</i>,12<i>H</i>-5,11-methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine- 1,7-dicarboxylate
• Formula: C21 H22 N2 O4
• Calculated formula: C21 H22 N2 O4
• Title of publication: Diethyl 6<i>H</i>,12<i>H</i>-5,11-methanodibenzo[<i>b</i>,<i>f</i>][1,5]diazocine-1,7-dicarboxylate
• Authors of publication: Bhuiyan, M. Delower H.; Clegg, Jack K.; Try, Andrew C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o187
• a: 14.306 ± 0.003 Å
• b: 9.251 ± 0.002 Å
• c: 15.081 ± 0.004 Å
• α: 90°
• β: 118.149 ± 0.004°
• γ: 90°
• Cell volume: 1759.8 ± 0.7 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: 0.0401
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0956
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes