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CIF Information Card
Information card for 7151832
7151831 << 7151832 >> 7151833Preview
|
Coordinates |
7151832.cif |
Structure parameters
| Formula | - C14 H14 N4 O7 - |
| Calculated formula | - C14 H14 N4 O7 - |
| Title of publication | Damage of aromatic amino acids by the atmospheric free radical oxidant NO3˙ in the presence of NO2˙, N2O4, O3 and O2. |
| Authors of publication | Goeschen, Catrin; Wibowo, Natalia; White, Jonathan M.; Wille, Uta |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 9 |
| Pages of publication | 3380 - 3385 |
| a | 6.3831 ± 0.0014 Å |
| b | 7.837 ± 0.003 Å |
| c | 15.41 ± 0.003 Å |
| α | 90° |
| β | 90.91 ± 0.03° |
| γ | 90° |
| Cell volume | 770.8 ± 0.4 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Residual factor for all reflections | 0.2038 |
| Residual factor for observed reflections | 0.057 |
| Weighted residual factors for the observed reflections | 0.062 |
| Weighted residual factors for all reflections included in the refinement | 0.0838 |
| Goodness-of-fit parameter for observed reflections | 0.615 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |