Information card for entry 4515457

Structure parameters

• Formula: C27 H25 N
• Calculated formula: C27 H25 N
• SMILES: N1(c2c3ccccc3ccc2[C@@H](C[C@@H]1c1ccccc1)C)Cc1ccccc1.N1(c2c3ccccc3ccc2[C@H](C[C@H]1c1ccccc1)C)Cc1ccccc1
• Title of publication: Intramolecular Cyclizations of Vinyl-Substituted N,N-Dialkyl Arylamines Enabled by Borane-Assisted Hydride Transfer
• Authors of publication: Tian, Jun-Jie; Zeng, Ning-Ning; Liu, Ning; Tu, Xian-Shuang; Wang, Xiao-Chen
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 295
• a: 11.627 ± 0.002 Å
• b: 11.659 ± 0.002 Å
• c: 15.889 ± 0.003 Å
• α: 85.73 ± 0.03°
• β: 77.49 ± 0.03°
• γ: 69.54 ± 0.03°
• Cell volume: 1970.1 ± 0.8 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: 0.1331
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2298
• Weighted residual factors for all reflections included in the refinement: 0.2509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No