Information card for entry 7203901

Structure parameters

• Chemical name: (42)
• Formula: C26 H44 N2
• Calculated formula: C26 H44 N2
• SMILES: N12CCCC#CCCCN(CCCC#CCCC1)CCCCCCCCCC2
• 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: 9.8034 ± 0.0001 Å
• b: 11.9812 ± 0.0002 Å
• c: 20.9007 ± 0.0003 Å
• α: 90°
• β: 91.531 ± 0.001°
• γ: 90°
• Cell volume: 2454.05 ± 0.06 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0544
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No