Information card for entry 7120494

Structure parameters

• Formula: C32 H40 N2 O3
• Calculated formula: C32 H40 N2 O3
• SMILES: O1C(=O)N(CC1)C(=O)C(c1c2ccccc2c(N(c2cc(C(C)(C)C)cc(c2)C(C)(C)C)C)cc1)CC
• Title of publication: Selective α-arylation of α,β-unsaturated imides mediated by a visible light photoredox catalyst
• Authors of publication: Ando, Yuki; Kamatsuka, Takuto; Shinokubo, Hiroshi; Miyake, Yoshihiro
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 24.5341 ± 0.001 Å
• b: 10.0047 ± 0.0004 Å
• c: 11.5533 ± 0.0005 Å
• α: 90°
• β: 97.721 ± 0.001°
• γ: 90°
• Cell volume: 2810.1 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No