Information card for entry 4068928

Structure parameters

• Formula: C20 H37 N4 Na
• Calculated formula: C20 H37 N4 Na
• SMILES: [Na]12(N(C(=C)c3ccccc3)CCC)[N](C)(C)CC[N]1(C)CC[N]2(C)C
• Title of publication: Thermodynamically Favored Anion Rearrangements in Li and Na Complexes of (S)-N-α-(Methylbenzyl)allylamine
• Authors of publication: Andrews, Philip C.; Koutsaplis, Magdaline; Robertson, Evan G.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 1697
• a: 8.7889 ± 0.0018 Å
• b: 16.337 ± 0.003 Å
• c: 16.098 ± 0.003 Å
• α: 90°
• β: 103.6 ± 0.03°
• γ: 90°
• Cell volume: 2246.6 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.1483
• Residual factor for significantly intense reflections: 0.1033
• Weighted residual factors for significantly intense reflections: 0.2764
• Weighted residual factors for all reflections included in the refinement: 0.3014
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No