Information card for entry 1543813

Structure parameters

• Formula: C31 H29 N2
• Calculated formula: C31 H29 N2
• SMILES: N1([C@@H](c2ccc(cc2)C)C[C@@H]2[C@H]1c1ccccc1N[C@H]2c1ccc(cc1)C)c1ccccc1.N1([C@H](c2ccc(cc2)C)C[C@H]2[C@@H]1c1ccccc1N[C@@H]2c1ccc(cc1)C)c1ccccc1
• Title of publication: Copper-Catalyzed Cascade Reaction via Intramolecular Hydroamination Cyclization of Homopropargylic Amines and Intermolecular Povarov Reaction with Imines.
• Authors of publication: Wang, Hongkai; Wang, Chan; Huang, Kaimeng; Liu, Lingyan; Chang, Weixing; Li, Jing
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 10
• Pages of publication: 2367 - 2370
• a: 10.116 ± 0.002 Å
• b: 10.554 ± 0.002 Å
• c: 11.501 ± 0.002 Å
• α: 105.31 ± 0.03°
• β: 93.11 ± 0.03°
• γ: 96.37 ± 0.03°
• Cell volume: 1172.5 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1318
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No