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Information card for entry 4515512
Preview
Coordinates | 4515512.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H30 N2 O3 |
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Calculated formula | C26 H30 N2 O3 |
SMILES | O=C(Nc1cccc2cccnc12)CCC[C@@H]1[C@H](O)CC[C@H](C1)c1ccc(OC)cc1 |
Title of publication | Enantioselective Addition of Cyclic Ketones to Unactivated Alkenes Enabled by Amine/Pd(II) Cooperative Catalysis |
Authors of publication | Shen, Hong-Cheng; Zhang, Ling; Chen, Shu-Sen; Feng, Jiajie; Zhang, Bo-Wen; Zhang, Ying; Zhang, Xinhao; Wu, Yun-Dong; Gong, Liu-Zhu |
Journal of publication | ACS Catalysis |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 2 |
Pages of publication | 791 |
a | 9.1036 ± 0.0002 Å |
b | 13.3256 ± 0.0002 Å |
c | 36.2038 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4391.92 ± 0.14 Å3 |
Cell temperature | 170 ± 2 K |
Ambient diffraction temperature | 170.01 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0615 |
Residual factor for significantly intense reflections | 0.0598 |
Weighted residual factors for significantly intense reflections | 0.1593 |
Weighted residual factors for all reflections included in the refinement | 0.1614 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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