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CIF Information Card
Information card for 7151734
7151733 << 7151734 >> 7151735Preview
|
Coordinates |
7151734.cif |
Structure parameters
| Common name | Compound-72 |
| Formula | - C30 H35 Cl2 N7 O5 S2 - |
| Calculated formula | - C30 H35 Cl2 N7 O5 S2 - |
| Title of publication | Intramolecular Diels-Alder chemistry of 4-vinylimidazoles. |
| Authors of publication | He, Yong; Krishnamoorthy, Pasupathy; Lima, Heather M.; Chen, Yingzhong; Wu, Haiyan; Sivappa, Rasapalli; Dias, H. V. Rasika; Lovely, Carl J. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 8 |
| Pages of publication | 2685 - 2701 |
| a | 16.9209 ± 0.0013 Å |
| b | 10.9678 ± 0.0009 Å |
| c | 19.3539 ± 0.0015 Å |
| α | 90° |
| β | 114.309 ± 0.001° |
| γ | 90° |
| Cell volume | 3273.3 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.056 |
| Residual factor for observed reflections | 0.0445 |
| Weighted residual factors for the observed reflections | 0.1164 |
| Weighted residual factors for all reflections included in the refinement | 0.1247 |
| Goodness-of-fit parameter for observed reflections | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |