Information card for entry 4515544

Structure parameters

• Formula: C54 H60 N2
• Calculated formula: C54 H60 N2
• SMILES: c1(N(c2ccc(cc2)C(C)(C)C)c2ccc(cc2)C(C)(C)C)c2ccccc2c(c2ccccc12)N(c1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(C)(C)C
• Title of publication: Strongly Reducing (Diarylamino)anthracene Catalyst for Metal-Free Visible-Light Photocatalytic Fluoroalkylation
• Authors of publication: Noto, Naoki; Tanaka, Yuya; Koike, Takashi; Akita, Munetaka
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 9408
• a: 8.3369 ± 0.0016 Å
• b: 9.3962 ± 0.0018 Å
• c: 14.592 ± 0.003 Å
• α: 100.111 ± 0.002°
• β: 103.43 ± 0.003°
• γ: 98.334 ± 0.002°
• Cell volume: 1073.8 ± 0.4 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0668
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.38
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No