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Information card for entry 1546793
Preview
Coordinates | 1546793.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H20 N2 O4 |
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Calculated formula | C21 H20 N2 O4 |
SMILES | O=C1N(C(=O)[C@H]2[C@H](N[C@H]([C@@H]12)C(=O)OC)c1ccc(cc1)C)c1ccccc1.O=C1N(C(=O)[C@@H]2[C@@H](N[C@@H]([C@H]12)C(=O)OC)c1ccc(cc1)C)c1ccccc1 |
Title of publication | Catalysis of a 1,3-dipolar reaction by distorted DNA incorporating a heterobimetallic platinum (II) and copper (II) complex |
Authors of publication | Rivilla de la Cruz, Iván; de Cózar, Abel; Schäfer, Thomas; Hernandez, Frank J.; Bittner, Alexander M.; Eleta, Aitziber; Aboudzadeh, Ali; SANTOS, JOSE IGNACIO; Miranda, José Ignacio; Cossio, Fernando |
Journal of publication | Chem. Sci. |
Year of publication | 2017 |
a | 6.1168 ± 0.0003 Å |
b | 12.5792 ± 0.001 Å |
c | 13.3742 ± 0.001 Å |
α | 113.132 ± 0.007° |
β | 92.441 ± 0.005° |
γ | 103.376 ± 0.005° |
Cell volume | 910.36 ± 0.12 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0837 |
Residual factor for significantly intense reflections | 0.0806 |
Weighted residual factors for significantly intense reflections | 0.2286 |
Weighted residual factors for all reflections included in the refinement | 0.2314 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.112 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1546793.html
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Users of the data should acknowledge the original authors of the
structural data.