Information card for entry 1542388

Structure parameters

• Formula: C12 H14 N2 O2
• Calculated formula: C12 H11 N2 O2
• SMILES: O=C1OCC(NN=C1c1ccccc1)(C)C
• Title of publication: Fe-Catalyzed Olefin Hydroamination with Diazo Compounds for Hydrazone Synthesis.
• Authors of publication: Zheng, Jing; Qi, Jifeng; Cui, Sunliang
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 1
• Pages of publication: 128 - 131
• a: 22.2134 ± 0.0018 Å
• b: 5.773 ± 0.0005 Å
• c: 19.6734 ± 0.0016 Å
• α: 90°
• β: 115.56 ± 0.0014°
• γ: 90°
• Cell volume: 2276 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0993
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.2294
• Weighted residual factors for all reflections included in the refinement: 0.2466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No