Information card for entry 2009511

Structure parameters

• Chemical name: 1-t-Butyl-(t-butylamino)-2-methylidene)-3-pyrrolidinone
• Formula: C13 H24 N2 O
• Calculated formula: C13 H24 N2 O
• SMILES: O=C1C(N(C(C)(C)C)CC1)=CNC(C)(C)C
• Title of publication: 1-<i>tert</i>-Butyl-2-(<i>tert</i>-butylaminomethylidene)-3-pyrrolidinone, C~13~H~24~N~2~O
• Authors of publication: Spek, Anthony L.; Janssen, Maurits D.; Wissing, Elmo; Van Koten, G.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 3
• Pages of publication: 410 - 411
• a: 19.646 ± 0.002 Å
• b: 6.149 ± 0.001 Å
• c: 11.466 ± 0.002 Å
• α: 90°
• β: 95.25 ± 0.01°
• γ: 90°
• Cell volume: 1379.3 ± 0.4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.0478
• Goodness-of-fit parameter for significantly intense reflections: 0.62
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No