Information card for entry 2003271

Structure parameters

• Formula: C15 H25 N3 O
• Calculated formula: C15 H25 N3 O
• SMILES: N1(C(=O)CN=C1NC1CCCCC1)C1CCCCC1
• Title of publication: 1-Cyclohexyl-2-cyclohexylamino-5(4<i>H</i>)-imidazolone
• Authors of publication: Anulewicz, R.; Fiertek, D.; Izdebski, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 3
• Pages of publication: 541 - 543
• a: 17.158 ± 0.002 Å
• b: 17.158 ± 0.002 Å
• c: 17.158 ± 0.002 Å
• α: 116.66 ± 0.02°
• β: 116.66 ± 0.02°
• γ: 116.66 ± 0.02°
• Cell volume: 2344 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :R
• Hall space group symbol: P 3* -2n
• Residual factor for all reflections: 0.0943
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for all reflections: 0.1482
• Weighted residual factors for significantly intense reflections: 0.1148
• Goodness-of-fit parameter for all reflections: 1.08
• Goodness-of-fit parameter for significantly intense reflections: 1.081
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No