Information card for entry 7117884

Structure parameters

• Formula: C24 H21 N2 O2
• Calculated formula: C24 H20 N2 O2
• SMILES: O=C(OCC)c1c(n(c2ncccc2)c(c1)c1ccccc1)c1ccccc1
• Title of publication: Rh(iii)-catalyzed chelation-assisted intermolecular carbenoid functionalization of α-imino Csp(3)-H bonds.
• Authors of publication: Chen, Xun; Xie, Ying; Xiao, Xinsheng; Li, Guoqiang; Deng, Yuanfu; Jiang, Huanfeng; Zeng, Wei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 83
• Pages of publication: 15328 - 15331
• a: 29.479 ± 0.0008 Å
• b: 12.053 ± 0.0003 Å
• c: 11.6531 ± 0.0003 Å
• α: 90°
• β: 108.029 ± 0.002°
• γ: 90°
• Cell volume: 3937.17 ± 0.18 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 2 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: 0.0439
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 0.674
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No