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CIF Information Card
Information card for 7151836
7151835 << 7151836 >> 7151837Preview
|
Coordinates |
7151836.cif |
Structure parameters
| Formula | - C16 H16 O4 - |
| Calculated formula | - C16 H16 O4 - |
| Title of publication | Phase-transfer-catalyzed cyclization reaction of nucleophilic addition to electron-deficient 1,3-conjugated enynes for the synthesis of functionalized 4H-pyrans. |
| Authors of publication | Hu, Jie; Liu, Lei; Yang, Shangdong; Liang, Yong-Min |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 9 |
| Pages of publication | 3375 - 3379 |
| a | 13.741 ± 0.004 Å |
| b | 6.0599 ± 0.0016 Å |
| c | 17.805 ± 0.005 Å |
| α | 90° |
| β | 109.656 ± 0.003° |
| γ | 90° |
| Cell volume | 1396.2 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for all reflections | 0.1041 |
| Residual factor for observed reflections | 0.0563 |
| Weighted residual factors for the observed reflections | 0.1282 |
| Weighted residual factors for all reflections included in the refinement | 0.1552 |
| Goodness-of-fit parameter for observed reflections | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |