Information card for entry 7024087

Structure parameters

• Formula: C21 H48 N3 Na Zn
• Calculated formula: C21 H48 N3 Na Zn
• SMILES: [Zn]([N]1([C@@H](CCC[C@@H]1C)C)[Na]1[N](C)(C)CC[N]1(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: cis-2,6-Dimethylpiperidide: a structural mimic for TMP (2,2,6,6-tetramethylpiperidide) or DA (diisopropylamide)?
• Authors of publication: Campbell, Ross; Conway, Ben; Fairweather, Graham S.; García-Alvarez, Pablo; Kennedy, Alan R.; Klett, Jan; Mulvey, Robert E.; O'Hara, Charles T; Robertson, Gemma M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 511 - 519
• a: 8.337 ± 0.0004 Å
• b: 9.6409 ± 0.0005 Å
• c: 9.7024 ± 0.0004 Å
• α: 61.815 ± 0.004°
• β: 78.623 ± 0.004°
• γ: 73.435 ± 0.005°
• Cell volume: 657.03 ± 0.06 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1841
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No