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Information card for entry 7201078
Preview
| Coordinates | 7201078.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2-(3-(4-hydroxystyryl)cyclohex-2-enylidene)malononitrile |
|---|---|
| Chemical name | 2-(3-(4-hydroxystyryl)cyclohex-2-enylidene)malononitrile |
| Formula | C17 H14 N2 O |
| Calculated formula | C17 H14 N2 O |
| Title of publication | Crystal engineering by eliminating weak hydrogen bonding sites in phenolic polyene nonlinear optical crystals |
| Authors of publication | Kwon, O-Pil; Jazbinsek, Mojca; Yun, Hoseop; Seo, Jung-In; Seo, Ji-Youn; Kwon, Seong-Ji; Lee, Yoon Sup; Günter, Peter |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 8 |
| Pages of publication | 1541 |
| a | 10.9927 ± 0.0008 Å |
| b | 12.5852 ± 0.0009 Å |
| c | 10.1326 ± 0.0006 Å |
| α | 90° |
| β | 94.364 ± 0.002° |
| γ | 90° |
| Cell volume | 1397.73 ± 0.16 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.0388 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.1051 |
| Weighted residual factors for all reflections included in the refinement | 0.1123 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180341 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/10. |
7201078.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201078.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201078.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7201078.cif |
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