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CIF Information Card
Information card for 7151835
7151834 << 7151835 >> 7151836Preview
|
Coordinates |
7151835.cif |
Structure parameters
| Formula | - C12.67 H12 N O2 S - |
| Calculated formula | - C12 H12 N1.33333 O2.66667 S1.33333 - |
| Title of publication | Synthesis of spirocyclic thiazolidinediones using ring-closing metathesis and one-pot sequential ring-closing/cross metathesis. |
| Authors of publication | Dhara, Kalyan; Paladhi, Sushovan; Midya, Ganesh Chandra; Dash, Jyotirmayee |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 10 |
| Pages of publication | 3801 - 3807 |
| a | 6.1705 ± 0.0007 Å |
| b | 7.7879 ± 0.0008 Å |
| c | 18.703 ± 0.003 Å |
| α | 90° |
| β | 94.971 ± 0.007° |
| γ | 90° |
| Cell volume | 895.4 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.0565 |
| Residual factor for observed reflections | 0.039 |
| Weighted residual factors for the observed reflections | 0.103 |
| Weighted residual factors for all reflections included in the refinement | 0.1138 |
| Goodness-of-fit parameter for observed reflections | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |