Information card for entry 7115583

Structure parameters

• Formula: C28 H60 N6 Na2
• Calculated formula: C28 H60 N6 Na2
• SMILES: [Na]12([N](C)(C)CC[N]1(C)C)[N]1(C(C)(C)CCC=C1C)[Na]1([N](C)(C)CC[N]1(C)C)[N]12C(C)(C)CCC=C1C
• 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: 10.7005 ± 0.0003 Å
• b: 15.6464 ± 0.0005 Å
• c: 19.4063 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3249.09 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0705
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Duplicate of: 7115585
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No