Information card for entry 7211047

Structure parameters

• Formula: C16 H30 N2 O2
• Calculated formula: C16 H30 N2 O2
• SMILES: C1C(NC(=O)C(C)(C)C)CCC(C1)NC(=O)C(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: 14.183 ± 0.003 Å
• b: 6.159 ± 0.001 Å
• c: 9.889 ± 0.002 Å
• α: 90°
• β: 98.383 ± 0.001°
• γ: 90°
• Cell volume: 854.6 ± 0.3 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