Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 7108516
7108515 << 7108516 >> 7108517Preview
|
Coordinates |
7108516.cif |
Structure parameters
| Formula | - C22 H13 I O2 - |
| Calculated formula | - C22 H13 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 | 9.369 ± 0.002 Å |
| b | 9.971 ± 0.002 Å |
| c | 10.815 ± 0.004 Å |
| α | 98.526 ± 0.003° |
| β | 93.088 ± 0.003° |
| γ | 117.892 ± 0.002° |
| Cell volume | 874.3 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P -1 |
| Hall symmetry space group | -P 1 |
| Residual factor for all reflections | 0.0356 |
| Residual factor for observed reflections | 0.0278 |
| Weighted residual factors for the observed reflections | 0.0593 |
| Weighted residual factors for all reflections included in the refinement | 0.0624 |
| Goodness-of-fit parameter for observed reflections | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |