Information card for entry 4123566

Structure parameters

• Formula: C19 H21 N
• Calculated formula: C19 H21 N
• SMILES: N(=C(c1ccccc1)\c1ccccc1)\C(=C/CC)\CC
• Title of publication: Nickel-catalyzed hydroimination of alkynes.
• Authors of publication: Manan, Rajith S.; Kilaru, Praveen; Zhao, Pinjing
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 19
• Pages of publication: 6136 - 6139
• a: 13.4765 ± 0.0007 Å
• b: 7.6816 ± 0.0005 Å
• c: 29.8008 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3085 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No