Information card for entry 1565407

Structure parameters

• Chemical name: N,N-dimethyl-1-(naphthalen-2-yl)-1-phenylethan-1-amine
• Formula: C20 H21 N
• Calculated formula: C20 H21 N
• SMILES: c1ccccc1C(C)(c1ccc2ccccc2c1)N(C)C
• Title of publication: Iterative addition of carbon nucleophiles to <i>N</i>,<i>N</i>-dialkyl carboxamides for synthesis of α-tertiary amines.
• Authors of publication: Chen, Jiahua; Lim, Jun Wei; Ong, Derek Yiren; Chiba, Shunsuke
• Journal of publication: Chemical science
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 1
• Pages of publication: 99 - 104
• a: 23.603 ± 0.002 Å
• b: 6.0263 ± 0.0007 Å
• c: 10.4104 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1480.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0465
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1237
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No