Information card for entry 1546329

Structure parameters

• Formula: C22 H27 N O2
• Calculated formula: C22 H27 N O2
• SMILES: O=C(C(CC(=O)N(CC)CC)(C)c1ccccc1)c1ccc(cc1)C
• Title of publication: Copper-Catalyzed Formal Carbene Migratory Insertion into Internal Olefinic C═C Bonds with N-Tosylhydrazones To Access Iminofuran and 2(3H)-Furanone Derivatives.
• Authors of publication: Huang, Fei; Liu, Zhuqing; Wang, Quannan; Lou, Jiang; Yu, Zhengkun
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 13
• Pages of publication: 3660 - 3663
• a: 6.3642 ± 0.0005 Å
• b: 16.7315 ± 0.0016 Å
• c: 18.611 ± 0.0019 Å
• α: 90°
• β: 96.317 ± 0.007°
• γ: 90°
• Cell volume: 1969.7 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No