Information card for entry 4070826

Structure parameters

• Formula: C28 H27 N3 O
• Calculated formula: C28 H27 N3 O
• SMILES: [nH]1cccc1/C=N/c1ccc2ccccc2c1c1c2ccccc2ccc1N(C)C.OC
• Title of publication: Enantioselective Hydroamination/Cyclization Catalyzed by Organolanthanide Amides Derived from a New Chiral Ligand, (S)-2-(Pyrrol-2-ylmethyleneamino)-2′-(dimethylamino)-1,1′-binaphthyl
• Authors of publication: Zi, Guofu; Xiang, Li; Song, Haibin
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 6
• Pages of publication: 1242
• a: 8.8927 ± 0.0015 Å
• b: 14.556 ± 0.003 Å
• c: 9.4158 ± 0.0017 Å
• α: 90°
• β: 107.08 ± 0.003°
• γ: 90°
• Cell volume: 1165 ± 0.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0552
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No