Information card for entry 4131349

Structure parameters

• Formula: C41 H58 Al N5
• Calculated formula: C41 H58 Al N5
• SMILES: C=C1C=C(C)N(c2c(cccc2C(C)C)C(C)C)[Al](=C2N(C)CCN2C)(N1c1c(cccc1C(C)C)C(C)C)Nc1ccc(cc1)C
• Title of publication: Oxidative Cleavage of the C═N Bond on Al(I).
• Authors of publication: Chu, Terry; Vyboishchikov, Sergei F.; Gabidullin, Bulat M.; Nikonov, Georgii I.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 26
• Pages of publication: 8804 - 8807
• a: 11.0587 ± 0.0006 Å
• b: 25.898 ± 0.0013 Å
• c: 13.77 ± 0.0008 Å
• α: 90°
• β: 105.743 ± 0.001°
• γ: 90°
• Cell volume: 3795.8 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0666
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No