Information card for entry 4519302

Structure parameters

• Formula: C28 H37 N O3
• Calculated formula: C28 H37 N O3
• SMILES: O(C(=O)CCC(c1nc2c(c3c1cccc3)cccc2)CCCCCCCCCO)CC
• Title of publication: Radical Cascade Multicomponent Minisci Reactions with Diazo Compounds
• Authors of publication: Su, Yong-Liang; Liu, Geng-Xin; De Angelis, Luca; He, Ru; Al-Sayyed, Ammar; Schanze, Kirk S.; Hu, Wen-Hao; Qiu, Huang; Doyle, Michael P.
• Journal of publication: ACS Catalysis
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 2
• Pages of publication: 1357 - 1363
• a: 27.2805 ± 0.0005 Å
• b: 9.5063 ± 0.0002 Å
• c: 18.9097 ± 0.0003 Å
• α: 90°
• β: 92.819 ± 0.002°
• γ: 90°
• Cell volume: 4898.04 ± 0.16 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1482
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No