Information card for entry 4518533

Structure parameters

• Formula: C15 H22 N2 O
• Calculated formula: C15 H22 N2 O
• Title of publication: Photoinduced Metal-Free α-C(sp3)‒H Carbamoylation of Saturated Aza-Heterocycles via Rationally Designed Organic Photocatalyst
• Authors of publication: Yi, Ming-Jun; Zhang, Huan-Xin; Xiao, Teng-Fei; Zhang, Ji-Hua; Feng, Zhi-Tao; Wei, Li-Pu; Xu, Guo-Qiang; Xu, Peng-Fei
• Journal of publication: ACS Catalysis
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 3466 - 3472
• a: 12.771 ± 0.0006 Å
• b: 12.1463 ± 0.0005 Å
• c: 9.6862 ± 0.0004 Å
• α: 90°
• β: 92.048 ± 0.004°
• γ: 90°
• Cell volume: 1501.57 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0646
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1288
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No