Information card for entry 1517435

Structure parameters

• Formula: C18 H24 N2 O2
• Calculated formula: C18 H24 N2 O2
• SMILES: O1N2[C@]3(CCC[C@H]3C1)C(C[C@@H]2C(=N\O)/c1ccccc1)(C)C.O1N2[C@@]3(CCC[C@@H]3C1)C(C[C@H]2C(=N\O)/c1ccccc1)(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: 13.2223 ± 0.0003 Å
• b: 8.06237 ± 0.00016 Å
• c: 16.5867 ± 0.0004 Å
• α: 90°
• β: 109.428 ± 0.002°
• γ: 90°
• Cell volume: 1667.51 ± 0.07 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: 0.0575
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No