Information card for entry 7024089

Structure parameters

• Formula: C27 H58 Mg N5 Na
• Calculated formula: C27 H58 Mg N5 Na
• SMILES: [Mg]1([N]2([C@@H](CCC[C@@H]2C)C)[Na]3([N]41[C@@H](CCC[C@@H]4C)C)[N](C)(C)CC[N]3(C)C)N1[C@H](CCC[C@H]1C)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: 14.1862 ± 0.0004 Å
• b: 15.1005 ± 0.0005 Å
• c: 14.6621 ± 0.0004 Å
• α: 90°
• β: 97.09 ± 0.003°
• γ: 90°
• Cell volume: 3116.88 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0987
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No