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Information card for entry 1547016
Preview
Coordinates | 1547016.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H23 N O3 |
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Calculated formula | C27 H23 N O3 |
SMILES | O=C1c2c([C@@H]3N(C/C(=C\c4ccc(cc4)C)[C@]13C(=O)OC)c1ccccc1)cccc2.O=C1c2c([C@H]3N(C/C(=C\c4ccc(cc4)C)[C@@]13C(=O)OC)c1ccccc1)cccc2 |
Title of publication | CuCl/Et3N-Catalyzed Synthesis of Indanone-Fused 2-Methylene Pyrrolidines from Enynals and Propargylamines. |
Authors of publication | Qiu, Shaotong; Chen, Lianfen; Jiang, Huanfeng; Zhu, Shifa |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 17 |
Pages of publication | 4540 - 4543 |
a | 10.5503 ± 0.0013 Å |
b | 25.29 ± 0.003 Å |
c | 8.0177 ± 0.001 Å |
α | 90° |
β | 93.112 ± 0.002° |
γ | 90° |
Cell volume | 2136.1 ± 0.5 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 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 | 0.1256 |
Residual factor for significantly intense reflections | 0.0558 |
Weighted residual factors for significantly intense reflections | 0.1282 |
Weighted residual factors for all reflections included in the refinement | 0.1587 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.007 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1547016.html
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