Information card for entry 7203906

Structure parameters

• Chemical name: (48)
• Formula: C42 H68 N4
• Calculated formula: C42 H68 N4
• SMILES: C1#CCCCN2CCCC#CCCCN3CCCC#CCCCN(CCCC#CCCCN(CCC1)CCCCC3)CCCCC2
• 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: 25.4676 ± 0.0003 Å
• b: 10.5968 ± 0.0002 Å
• c: 14.8576 ± 0.0002 Å
• α: 90°
• β: 93.62 ± 0.001°
• γ: 90°
• Cell volume: 4001.7 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• 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: 0.058
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No