Information card for entry 7211045

Structure parameters

• Formula: C16 H32 N4 O2
• Calculated formula: C16 H32 N4 O2
• SMILES: C(=O)(NC1CCC(NC(=O)NC(C)(C)C)CC1)NC(C)(C)C
• Title of publication: NMR-crystallographic study of two-dimensionally self-assembled cyclohexane-based low-molecular-mass organic compounds
• Authors of publication: Schmidt, Marko; Zehe, Christoph S.; Siegel, Renée; Heigl, Johannes U.; Steinlein, Christoph; Schmidt, Hans-Werner; Senker, Jürgen
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 43
• Pages of publication: 8784
• a: 15.435 ± 0.007 Å
• b: 6.762 ± 0.003 Å
• c: 8.883 ± 0.004 Å
• α: 90°
• β: 96.343 ± 0.002°
• γ: 90°
• Cell volume: 921.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No