Information card for entry 7203905

Structure parameters

• Chemical name: 1,10-Diazabicyclo[8.8.8]hexacosa-5,14,22-triyne (47)
• Formula: C24 H36 N2
• Calculated formula: C24 H36 N2
• SMILES: C1CCC#CCCCN2CCCC#CCCCN1CCCC#CCCC2
• Title of publication: A short survey of bicyclic diamines ‒ syntheses and properties of N,N'-bridged-1,10-diazabicyclooctadeca-5,14-diynes
• Authors of publication: von Hirschheydt, Thomas; Wolfart, Volker; Gleiter, Rolf; Irngartinger, Hermann; Oeser, Thomas; Rominger, Frank; Eisenträger, Frank
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 2000
• Journal issue: 2
• Pages of publication: 175
• a: 12.177 ± 0.002 Å
• b: 9.875 ± 0.002 Å
• c: 8.532 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1026 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No