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Information card for entry 1547641
Preview
Coordinates | 1547641.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | KSH-2849 |
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Formula | C27 H23 N O2 |
Calculated formula | C27 H23 N O2 |
SMILES | c12ccccc1cc1ccccc1c2/C=C/[C@H]1C[C@]1(c1ccccn1)C(=O)OCC.c12ccccc1cc1ccccc1c2/C=C/[C@@H]1C[C@@]1(c1ccccn1)C(=O)OCC |
Title of publication | One-Pot Synthesis of Indolizines via Sequential Rhodium-Catalyzed [2 + 1]-Cyclopropanation, Palladium-Catalyzed Ring Expansion, and Oxidation Reactions from Pyridotriazoles and 1,3-Dienes. |
Authors of publication | Kim, Hyunseok; Kim, Sanghyuck; Kim, Jiyeon; Son, Jeong-Yu; Baek, Yonghyeon; Um, Kyusik; Lee, Phil Ho |
Journal of publication | Organic letters |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 20 |
Pages of publication | 5677 - 5680 |
a | 9.125 ± 0.0015 Å |
b | 11.0174 ± 0.0015 Å |
c | 11.6902 ± 0.0015 Å |
α | 102.952 ± 0.0014° |
β | 102.365 ± 0.0009° |
γ | 105.581 ± 0.0014° |
Cell volume | 1055.1 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1116 |
Residual factor for significantly intense reflections | 0.0588 |
Weighted residual factors for significantly intense reflections | 0.1346 |
Weighted residual factors for all reflections included in the refinement | 0.1637 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation wavelength | 0.71073 Å |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1547641.html
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Users of the data should acknowledge the original authors of the
structural data.