Information card for entry 4514857

Structure parameters

• Common name: (R)-2-((Anthracen-9-ylmethyl)amino)-2-(4-bromophenyl)acetonitrile
• Formula: C23 H17 Br N2
• Calculated formula: C23 H17 Br N2
• SMILES: Brc1ccc([C@H](C#N)NCc2c3ccccc3cc3ccccc23)cc1
• Title of publication: Highly Active Chiral Dilithium(I) Binaphthyldisulfonate Catalysts for Enantio- and Chemoselective Strecker-Type Reactions
• Authors of publication: Hatano, Manabu; Nishio, Kosuke; Mochizuki, Takuya; Nishikawa, Keisuke; Ishihara, Kazuaki
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 8178
• a: 11.03 ± 0.004 Å
• b: 5.7133 ± 0.0018 Å
• c: 14.591 ± 0.005 Å
• α: 90°
• β: 92.925 ± 0.009°
• γ: 90°
• Cell volume: 918.3 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0884
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 0.809
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No