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CIF Information Card
Information card for 4114412
4114411 << 4114412 >> 4114413Preview
|
Coordinates |
4114412.cif |
Structure parameters
| Common name | frowh02 |
| Chemical name | 4a |
| Formula | - C19 H22 O7 - |
| Calculated formula | - C19 H22 O7 - |
| Title of publication | Polarizing the Nazarov Cyclization: Efficient Catalysis under Mild Conditions |
| Authors of publication | Wei He; Xiufeng Sun; Alison J. Frontier |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 14278 - 14279 |
| a | 10.1639 ± 0.0019 Å |
| b | 12.296 ± 0.002 Å |
| c | 14.944 ± 0.003 Å |
| α | 90° |
| β | 109.88 ± 0.01° |
| γ | 90° |
| Cell volume | 1756.3 ± 0.6 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 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 | 0.0515 |
| Residual factor for observed reflections | 0.04 |
| Weighted residual factors for the observed reflections | 0.0974 |
| Weighted residual factors for all reflections included in the refinement | 0.1032 |
| Goodness-of-fit parameter for observed reflections | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |