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Information card for entry 1555388
Preview
Coordinates | 1555388.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H34 N4 O4 |
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Calculated formula | C34 H34 N4 O4 |
SMILES | C(NC(=O)[C@H]1N(C(=O)NN(C(=O)OCc2ccccc2)C2C=CC=CC=C2)CCC1)(c1ccccc1)c1ccccc1 |
Title of publication | Azopeptides: Synthesis and Pericyclic Chemistry. |
Authors of publication | Chingle, Ramesh; Lubell, William D. |
Journal of publication | Organic letters |
Year of publication | 2015 |
Journal volume | 17 |
Journal issue | 21 |
Pages of publication | 5400 - 5403 |
a | 10.2983 ± 0.0004 Å |
b | 10.6899 ± 0.0005 Å |
c | 13.1072 ± 0.0006 Å |
α | 90° |
β | 94.794 ± 0.003° |
γ | 90° |
Cell volume | 1437.89 ± 0.11 Å3 |
Cell temperature | 110 K |
Ambient diffraction temperature | 110 K |
Number of distinct elements | 4 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0576 |
Residual factor for significantly intense reflections | 0.0371 |
Weighted residual factors for significantly intense reflections | 0.0778 |
Weighted residual factors for all reflections included in the refinement | 0.0846 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
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/1555388.html
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