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CIF Information Card
Information card for 7206033
7206032 << 7206033 >> 7206034Preview
|
Coordinates |
7206033.cif |
Structure parameters
| Formula | - C10 H18 N2 O6 - |
| Calculated formula | - C10 H18 N2 O6 - |
| Title of publication | Cyclic dipeptides: catalyst/promoter-free, rapid and environmentally benign cyclization of free amino acids |
| Authors of publication | Nonappa,; Ahonen, Kari; Lahtinen, Manu; Kolehmainen, Erkki |
| Journal of publication | Green Chemistry |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 5 |
| Pages of publication | 1203 |
| a | 7.7534 ± 0.0016 Å |
| b | 8.0651 ± 0.0016 Å |
| c | 18.818 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1176.7 ± 0.4 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 21 21 21 |
| Hall symmetry space group | P 2ac 2ab |
| Residual factor for all reflections | 0.0557 |
| Residual factor for observed reflections | 0.0429 |
| Weighted residual factors for the observed reflections | 0.0841 |
| Weighted residual factors for all reflections included in the refinement | 0.0881 |
| Goodness-of-fit parameter for observed reflections | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |