Information card for entry 1517439

Structure parameters

• Formula: C18 H24 N2 O2
• Calculated formula: C18 H24 N2 O2
• SMILES: O/N=C(\c1ccccc1)[C@@H]1N2OC[C@@H]3CCC[C@]23C(C)(C1)C.O/N=C(\c1ccccc1)[C@H]1N2OC[C@H]3CCC[C@@]23C(C)(C1)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: 6.4874 ± 0.001 Å
• b: 11.048 ± 0.002 Å
• c: 12.397 ± 0.003 Å
• α: 69.31 ± 0.02°
• β: 77.922 ± 0.017°
• γ: 88.901 ± 0.014°
• Cell volume: 811.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0949
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1346
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No