Information card for entry 4088790

Structure parameters

• Formula: C24 H32 N2 Na2
• Calculated formula: C24 H32 N2 Na2
• SMILES: [Na]1[N](CC(C)C)(C(=C)c2ccccc2)[Na][N]1(CC(C)C)C(=C)c1ccccc1
• Title of publication: Loss of Chirality through Facile Lewis Base Mediated Aza-enolate Formation in Na and K (S)-N-(α-Methylbenzyl)methallylamides
• Authors of publication: Flynn, Matthew T.; Stott, Rachel; Blair, Victoria L.; Andrews, Philip C.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 16
• Pages of publication: 2707
• a: 11.4543 ± 0.0006 Å
• b: 11.3694 ± 0.0007 Å
• c: 8.8489 ± 0.0005 Å
• α: 90°
• β: 103.044 ± 0.004°
• γ: 90°
• Cell volume: 1122.64 ± 0.11 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No