Information card for entry 4029679

Structure parameters

• Formula: C22 H25 N O3
• Calculated formula: C22 H25 N O3
• SMILES: O(C(=O)C(=C\c1ccccc1)\c1c(N2CCOCC2)cccc1C)CC
• Title of publication: Palladium-Catalyzed/Norbornene-Mediated ortho-Amination/N-Tosylhydrazone Insertion Reaction: An Approach to the Synthesis of ortho-Aminated Vinylarenes.
• Authors of publication: Zhou, Ping-Xin; Ye, Yu-Ying; Ma, Jun-Wei; Zheng, Lan; Tang, Qian; Qiu, Yi-Feng; Song, Bo; Qiu, Zi-Hang; Xu, Peng-Fei; Liang, Yong-Min
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 14
• Pages of publication: 6627 - 6633
• a: 7.3748 ± 0.0008 Å
• b: 19.4128 ± 0.0019 Å
• c: 13.8717 ± 0.0014 Å
• α: 90°
• β: 105.111 ± 0.013°
• γ: 90°
• Cell volume: 1917.3 ± 0.4 ų
• Cell temperature: 294.35 ± 0.1 K
• Ambient diffraction temperature: 294.35 ± 0.1 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: 0.0683
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1217
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No