Information card for entry 2215416

Structure parameters

• Chemical name: 1,1'-Ureylenedi-7,7-dimethylbicyclo[2.2.1]heptan-2-one
• Formula: C19 H28 N2 O3
• Calculated formula: C19 H28 N2 O3
• SMILES: O=C(N[C@]12CC[C@H](CC1=O)C2(C)C)N[C@@]12C(=O)C[C@@H](CC1)C2(C)C
• Title of publication: 1,1'-Ureylenedi-7,7-dimethylbicyclo[2.2.1]heptan-2-one
• Authors of publication: Gao, Yu-Xing; Liu, Peng; Fang, Yi-Xin; Tang, Guo; Zhao, Yu-Fen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o3994 - o3994
• a: 6.7578 ± 0.0016 Å
• b: 12.107 ± 0.003 Å
• c: 21.269 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1740.2 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes