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CIF Information Card
Information card for 7151810
7151809 << 7151810 >> 7151811Preview
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Coordinates |
7151810.cif |
Structure parameters
| Common name | (E)-(2-chloro-3,4-dimethylpenta-1,3-dienyl)benzene |
| Chemical name | (E)-(2-chloro-3,4-dimethylpenta-1,3-dienyl)benzene |
| Formula | - C13 H14 Cl N O2 - |
| Calculated formula | - C12.5 H14 Cl N O2 - |
| Title of publication | Titanium-mediated rearrangement of cyclopropenylmethyl acetates to (E)-halodienes. |
| Authors of publication | Gallego, Gary; Ariafard, Alireza; Tran, Kiet; Sandoval, David; Choi, Leera; Chen, Yi-Hsun; Yates, Brian F.; Tao, Fu-Ming; Hyland, Christopher J. T. |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2011 |
| Journal volume | 9 |
| Journal issue | 9 |
| Pages of publication | 3359 - 3363 |
| a | 13.0021 ± 0.0013 Å |
| b | 7.2565 ± 0.0007 Å |
| c | 14.3625 ± 0.0015 Å |
| α | 90° |
| β | 111.335 ± 0.001° |
| γ | 90° |
| Cell volume | 1262.2 ± 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 | 0.0866 |
| Residual factor for observed reflections | 0.0758 |
| Weighted residual factors for the observed reflections | 0.223 |
| Weighted residual factors for all reflections included in the refinement | 0.2348 |
| Goodness-of-fit parameter for observed reflections | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |