Information card for entry 1555422

Structure parameters

• Formula: C16 H18 Li N2 O
• Calculated formula: C16 H18 Li N2 O
• SMILES: [Li]([O]1CCCC1)[N](c1ccccc1)=[N](c1ccccc1)[Li]([O]1CCCC1)[N](c1ccccc1)=Nc1ccccc1
• Title of publication: Interaction of Azobenzene and Benzalaniline with Strong Amido Bases.
• Authors of publication: Kornev, Alexander N.; Sushev, Vyacheslav V.; Zolotareva, Natalia V.; Baranov, Evgenii V.; Fukin, Georgy K.; Abakumov, Gleb A.
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 24
• Pages of publication: 6154 - 6157
• a: 15.9311 ± 0.001 Å
• b: 9.7436 ± 0.0006 Å
• c: 9.2498 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1435.81 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1142
• 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