Information card for entry 7115584

Structure parameters

• Formula: C14 H30 Li N3
• Calculated formula: C14 H30 Li N3
• SMILES: [Li]1(N2C(=CCCC2(C)C)C)[N](CC[N]1(C)C)(C)C
• Title of publication: Dehydromethylation of alkali metal salts of the utility amide 2,2,6,6-tetramethylpiperidide (TMP)
• Authors of publication: Kennedy, Alan R.; Leenhouts, Sarah M.; Liggat, John J.; Martínez-Martínez, Antonio J.; Miller, Kimberley; Mulvey, Robert E.; O'Hara, Charles T.; O'Keefe, Philip; Steven, Alan
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2014
• Journal volume: 50
• Journal issue: 73
• Pages of publication: 10588 - 10591
• a: 7.7542 ± 0.0007 Å
• b: 12.7074 ± 0.0009 Å
• c: 17.2355 ± 0.0015 Å
• α: 90°
• β: 102.159 ± 0.009°
• γ: 90°
• Cell volume: 1660.2 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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 all reflections: 0.1029
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No