Information card for entry 4088789

Structure parameters

• Formula: C72 H90 Li12 N6
• Calculated formula: C72 H90 Li12 N6
• SMILES: c1ccccc1[C@H](C)[N-]CC(C)=[CH-].[Li+].[Li+]
• 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: 25.7286 ± 0.0005 Å
• b: 25.7286 ± 0.0005 Å
• c: 8.9644 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5139.07 ± 0.18 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No