Information card for entry 2225796

Structure parameters

• Chemical name: Cyclohexane-1-spiro-2'-imidazolidine-5'-spiro-1''-cyclohexan-4'-one
• Formula: C13 H22 N2 O
• Calculated formula: C13 H22 N2 O
• SMILES: N1C2(NC(=O)C31CCCCC3)CCCCC2
• Title of publication: Cyclohexane-1-spiro-2'-imidazolidine-5'-spiro-1''-cyclohexan-4'-one
• Authors of publication: Kavitha, T.; Ponnuswamy, S.; Vijayalakshmi, R.; Thenmozhi, M.; Ponnuswamy, M. N.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1072
• a: 5.827 ± 0.0008 Å
• b: 10.1703 ± 0.0005 Å
• c: 10.6651 ± 0.0004 Å
• α: 86.103 ± 0.002°
• β: 81.331 ± 0.003°
• γ: 89.72 ± 0.003°
• Cell volume: 623.36 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes