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CIF Information Card
Information card for 7108517
7108516 << 7108517 >> 7108518Preview
|
Coordinates |
7108517.cif |
Structure parameters
| Formula | - C12 H9 I O2 - |
| Calculated formula | - C12 H9 I O2 - |
| Title of publication | Facile synthesis of 2-iodo-spiro[indene-1,1'-isobenzofuran]-3'-ones via iodine-promoted cascade cyclization |
| Authors of publication | Hai-Tao Zhu; Xue Dong; Li-Jing Wang; Mei-Jin Zhong; Xue-Yuan Liu; Yong-Min Liang |
| Journal of publication | Chem.Commun. |
| Year of publication | 2012 |
| Journal volume | 48 |
| Pages of publication | 10748 |
| a | 7.714 ± 0.004 Å |
| b | 18.219 ± 0.01 Å |
| c | 8.198 ± 0.005 Å |
| α | 90° |
| β | 97.004 ± 0.005° |
| γ | 90° |
| Cell volume | 1143.6 ± 1.1 Å3 |
| Cell temperature | 569 ± 2 K |
| Ambient diffraction temperature | 569 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21/a 1 |
| Hall symmetry space group | -P 2yab |
| Residual factor for all reflections | 0.0594 |
| Residual factor for observed reflections | 0.041 |
| Weighted residual factors for the observed reflections | 0.085 |
| Weighted residual factors for all reflections included in the refinement | 0.0972 |
| Goodness-of-fit parameter for observed reflections | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MOKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |