Information card for entry 7009832

Structure parameters

• Formula: C24 H37 N4 Na
• Calculated formula: C24 H36 N4 Na
• SMILES: C(c1ccccc1)(C)=N(=C(c1ccccc1)C)[Na]12[N](CC[N]1(C)C)(C)CC[N]2(C)C
• Title of publication: Amido→azaallyl transformation in sodium amide complexes of (S )-α-(methylbenzyl)benzylamine
• Authors of publication: Andrews, Philip C.; Duggan, Peter J.; Fallon, Gary D.; McCarthy, Tom D.; Peatt, Anna C.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 15
• Pages of publication: 2505
• a: 10.7674 ± 0.0004 Å
• b: 15.6032 ± 0.0003 Å
• c: 14.1064 ± 0.0004 Å
• α: 90°
• β: 94.866 ± 0.001°
• γ: 90°
• Cell volume: 2361.42 ± 0.12 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.1691
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for all reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0432
• Goodness-of-fit parameter for all reflections: 2.177
• Goodness-of-fit parameter for all reflections included in the refinement: 2.824
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No