Information card for entry 1517437

Structure parameters

• Formula: C24 H28 N4 O4
• Calculated formula: C24 H28 N4 O4
• SMILES: O1N=C(c2ccccc2)C([C@@H]1C[N](=O)[N](=O)C[C@H]1ON=C(c2ccccc2)C1(C)C)(C)C
• Title of publication: Iminoxyl Radical-Promoted Dichotomous Cyclizations: Efficient Oxyoximation and Aminooximation of Alkenes.
• Authors of publication: Peng, Xie-Xue; Deng, Yun-Jing; Yang, Xiu-Long; Zhang, Lin; Yu, Wei; Han, Bing
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 17
• Pages of publication: 4650
• a: 6.2135 ± 0.0013 Å
• b: 9.64 ± 0.002 Å
• c: 9.692 ± 0.002 Å
• α: 85.789 ± 0.002°
• β: 73.02 ± 0.003°
• γ: 86.307 ± 0.002°
• Cell volume: 553.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1066
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.1734
• Weighted residual factors for all reflections included in the refinement: 0.1795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No