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Information card for entry 7151810
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| Coordinates | 7151810.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0866 |
| Residual factor for significantly intense reflections | 0.0758 |
| Weighted residual factors for significantly intense reflections | 0.223 |
| Weighted residual factors for all reflections included in the refinement | 0.2348 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.083 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180304 (current) | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/18. |
7151810.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7151810.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7151810.cif |
| 21274 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7151810 via cif-deposit CGI script. |
7151810.cif |
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