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Information card for entry 1507363
Preview
Coordinates | 1507363.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H26 N4 O5 S |
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Calculated formula | C21 H26 N4 O5 S |
SMILES | S(=O)(=O)(n1cnc2C[C@H]3CN(C(=O)[C@@H]3[C@H](c12)C(=O)OCC)Cc1ccccc1)N(C)C.S(=O)(=O)(n1cnc2C[C@@H]3CN(C(=O)[C@H]3[C@@H](c12)C(=O)OCC)Cc1ccccc1)N(C)C |
Title of publication | Intramolecular Diels-Alder reactions of 4-vinylimidazoles. |
Authors of publication | He, Yong; Chen, Yingzhong; Wu, Haiyan; Lovely, Carl J. |
Journal of publication | Organic letters |
Year of publication | 2003 |
Journal volume | 5 |
Journal issue | 20 |
Pages of publication | 3623 - 3626 |
a | 20.531 ± 0.004 Å |
b | 11.646 ± 0.002 Å |
c | 9.616 ± 0.002 Å |
α | 90° |
β | 101.88 ± 0.03° |
γ | 90° |
Cell volume | 2250 ± 0.8 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 9 |
Hermann-Mauguin space group symbol | C 1 c 1 |
Hall space group symbol | C -2yc |
Residual factor for all reflections | 0.0544 |
Residual factor for significantly intense reflections | 0.0446 |
Weighted residual factors for all reflections | 0.1161 |
Weighted residual factors for significantly intense reflections | 0.1109 |
Goodness-of-fit parameter for all reflections | 1.001 |
Goodness-of-fit parameter for significantly intense reflections | 1.067 |
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/1507363.html
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