Information card for entry 2005012

Structure parameters

• Chemical name: 1,3-Dicyclohexyl-2,4-bis(cyclohexylimino)1,3-diazetidine
• Formula: C26 H44 N4
• Calculated formula: C26 H44 N4
• SMILES: N1(/C(=N\C2CCCCC2)N(C\1=N/C1CCCCC1)C1CCCCC1)C1CCCCC1
• Title of publication: 1,3-Dicyclohexyl-2,4-bis(cyclohexylimino)-1,3-diazetidine: Dimer of Dicyclohexylcarbodiimide
• Authors of publication: Goj, O.; Haufe, G.; Fröhlich, R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1554 - 1556
• a: 10.166 ± 0.001 Å
• b: 12.206 ± 0.001 Å
• c: 20.873 ± 0.002 Å
• α: 90°
• β: 102.2 ± 0.01°
• γ: 90°
• Cell volume: 2531.6 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections: 0.1557
• Weighted residual factors for significantly intense reflections: 0.1509
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.154
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No