Information card for entry 2231490

Structure parameters

• Chemical name: 7-Benzyl-2,7-diazaspiro[4.4]nonan-1-one
• Formula: C14 H18 N2 O
• Calculated formula: C14 H18 N2 O
• SMILES: O=C1NCCC21CCN(Cc1ccccc1)C2
• Title of publication: 7-Benzyl-2,7-diazaspiro[4.4]nonan-1-one
• Authors of publication: Guo, Huan-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2517
• a: 9.63 ± 0.002 Å
• b: 8.4322 ± 0.0018 Å
• c: 29.848 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2423.7 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes