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Information card for entry 7232158
Preview
| Coordinates | 7232158.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C37 H28 N2 O3 |
|---|---|
| Calculated formula | C37 H28 N2 O3 |
| Title of publication | Dicyanovinyl substituted push-pull chromophores: effects of central C[double bond, length as m-dash]C/phenyl spacers, crystal structures and application in hydrazine sensing. |
| Authors of publication | Zhang, Yuecheng; Yuan, Longfei; Jia, Shang; Liu, Xiao; Zhao, Jiquan; Yin, Guohui |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 6 |
| Pages of publication | 3218 - 3226 |
| a | 10.465 ± 0.002 Å |
| b | 15.416 ± 0.003 Å |
| c | 18.321 ± 0.004 Å |
| α | 90° |
| β | 103.26 ± 0.03° |
| γ | 90° |
| Cell volume | 2876.9 ± 1.1 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0991 |
| Residual factor for significantly intense reflections | 0.0705 |
| Weighted residual factors for significantly intense reflections | 0.1669 |
| Weighted residual factors for all reflections included in the refinement | 0.1854 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7232158.cif |
| 225327 | 2019-11-08 | cif/ Updating files of 7232158, 7232159, 7232160 Original log message: Adding full bibliography for 7232158--7232160.cif. |
7232158.cif |
| 213040 | 2019-01-13 | cif/ Adding structures of 7232158, 7232159, 7232160 via cif-deposit CGI script. |
7232158.cif |
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Users of the data should acknowledge the original authors of the
structural data.