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Information card for entry 4033592
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4033592.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H27 N O5 |
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Calculated formula | C23 H27 N O5 |
SMILES | O=C(CC(Nc1ccccc1)(C(=O)OC(C)C)C(=O)OC(C)C)c1ccccc1 |
Title of publication | Synthesis of Structurally Diverse 3-, 4-, 5-, and 6-Membered Heterocycles from Diisopropyl Iminomalonates and Soft C-Nucleophiles. |
Authors of publication | Kattamuri, Padmanabha V.; Bhakta, Urmibhusan; Siriwongsup, Surached; Kwon, Doo-Hyun; Alemany, Lawrence B.; Yousufuddin, Muhammed; Ess, Daniel H.; Kürti, László |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2019 |
Journal volume | 84 |
Journal issue | 11 |
Pages of publication | 7066 - 7099 |
a | 11.035 ± 0.003 Å |
b | 12.177 ± 0.003 Å |
c | 17.248 ± 0.004 Å |
α | 90.577 ± 0.004° |
β | 98.878 ± 0.004° |
γ | 99.787 ± 0.005° |
Cell volume | 2255 ± 1 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.2125 |
Residual factor for significantly intense reflections | 0.0873 |
Weighted residual factors for significantly intense reflections | 0.205 |
Weighted residual factors for all reflections included in the refinement | 0.2837 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
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/4033592.html
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Users of the data should acknowledge the original authors of the
structural data.