Information card for entry 4102523

Structure parameters

• Formula: C24 H19 N O
• Calculated formula: C24 H19 N O
• SMILES: O=N1C=CC(C(=C\c2ccccc2)\C=1c1ccccc1)c1ccccc1
• Title of publication: Copper-Catalyzed Tandem [2,3]-Rearrangement and 6π-3-Azatriene Electrocyclization in (E)-O-Propargylic α,β-Unsaturated Oximes
• Authors of publication: Itaru Nakamura; Dong Zhang; Masahiro Terada
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 7884 - 7886
• a: 13.331 ± 0.004 Å
• b: 13.03 ± 0.004 Å
• c: 22.476 ± 0.007 Å
• α: 90°
• β: 105.846 ± 0.003°
• γ: 90°
• Cell volume: 3756 ± 2 ų
• Cell temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No