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Information card for entry 1518526
Preview
| Coordinates | 1518526.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | methyl (E)-2-cyano-3-(p-tolyl)acrylate |
|---|---|
| Formula | C12 H11 N O2 |
| Calculated formula | C12 H11 N O2 |
| SMILES | Cc1ccc(cc1)/C=C(C#N)/C(=O)OC |
| Title of publication | Increased carrier mobility in end-functionalized oligosilanes |
| Authors of publication | Surampudi, S.; Yeh, M.-L.; Siegler, M. A.; Hardigree, J. F. Martinez; Kasl, T. A.; Katz, H. E.; Klausen, R. S. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 3 |
| Pages of publication | 1905 |
| a | 4.00444 ± 0.00019 Å |
| b | 11.1381 ± 0.0006 Å |
| c | 12.202 ± 0.0007 Å |
| α | 71.955 ± 0.005° |
| β | 89.514 ± 0.004° |
| γ | 80.992 ± 0.004° |
| Cell volume | 510.62 ± 0.05 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0507 |
| Residual factor for significantly intense reflections | 0.0412 |
| Weighted residual factors for significantly intense reflections | 0.1083 |
| Weighted residual factors for all reflections included in the refinement | 0.1126 |
| 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 | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1518526.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518526.cif |
| 133119 | 2015-03-06 | cif/ Updating files of 1518526, 1518527, 1518528, 1518529 Original log message: Adding full bibliography for 1518526--1518529.cif. |
1518526.cif |
| 129380 | 2015-01-06 | cif/ Adding structures of 1518526, 1518527, 1518528, 1518529 via cif-deposit CGI script. |
1518526.cif |
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Users of the data should acknowledge the original authors of the
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