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CIF Information Card
Information card for 1100666
1100665 << 1100666 >> 1100667Preview
|
Coordinates |
1100666.cif |
Structure parameters
| Formula | - C12 H10 O4 - |
| Calculated formula | - C12 H10 O4 - |
| Title of publication | Crystal Structure of ethyl-2H-1-benzopyran-2-oxo-3-carboxylate |
| Authors of publication | M. Mahendra, B. H. Doreswamy, M. A. Sridhar, J. S. Prasad |
| a | 7.916 ± 0.001 Å |
| b | 15.736 ± 0.002 Å |
| c | 8.737 ± 0.0008 Å |
| α | 90° |
| β | 108.11 ± 0.006° |
| γ | 90° |
| Cell volume | 1034.4 ± 0.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for all reflections | 0.0902 |
| Residual factor for observed reflections | 0.0696 |
| Weighted residual factors for the observed reflections | 0.1966 |
| Weighted residual factors for all reflections included in the refinement | 0.2325 |
| Goodness-of-fit parameter for observed reflections | 1.111 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |