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Information card for entry 1513754
Preview
Coordinates | 1513754.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H22 N3 O4 |
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Calculated formula | C21 H22 N3 O4 |
SMILES | c1(ccc2c(c1)ccc(c2)[C@H](C(=O)N[C@@H](Cc1nc[nH]c1)C(=O)OC)C)OC |
Title of publication | Photooxygenation mechanisms in naproxen-amino acid linked systems. |
Authors of publication | Vayá, Ignacio; Andreu, Inmaculada; Jiménez, M Consuelo; Miranda, Miguel A. |
Journal of publication | Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology |
Year of publication | 2014 |
Journal volume | 13 |
Journal issue | 2 |
Pages of publication | 224 - 230 |
a | 7.5041 ± 0.0004 Å |
b | 5.1979 ± 0.0003 Å |
c | 24.164 ± 0.0013 Å |
α | 90° |
β | 92.664 ± 0.003° |
γ | 90° |
Cell volume | 941.51 ± 0.09 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 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 | 0.051 |
Residual factor for significantly intense reflections | 0.0497 |
Weighted residual factors for significantly intense reflections | 0.1262 |
Weighted residual factors for all reflections included in the refinement | 0.1271 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1513754.html
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