Information card for entry 4068740

Structure parameters

• Formula: C32 H30 N2 O
• Calculated formula: C32 H30 N2 O
• SMILES: O=C(Nc1c(c2c(cc1)cccc2)c1c(N(C)C)ccc2c1cccc2)c1c(cc(cc1C)C)C
• Title of publication: Synthesis of Group 4 Metal Amides with New Chiral Biaryldiamine-Based Ligands and Their Use as Catalysts for Asymmetric Hydroamination/Cyclization
• Authors of publication: Zi, Guofu; Liu, Xue; Xiang, Li; Song, Haibin
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 4
• Pages of publication: 1127
• a: 9.1111 ± 0.0012 Å
• b: 15.673 ± 0.002 Å
• c: 9.8009 ± 0.0013 Å
• α: 90°
• β: 111.017 ± 0.009°
• γ: 90°
• Cell volume: 1306.4 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No