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Information card for entry 1553998
Preview
| Coordinates | 1553998.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H21 Cl N |
|---|---|
| Calculated formula | C29 H21 Cl N |
| Title of publication | Contrasting Solid-State Fluorescence of Diynes with Small and Large Aryl Substituents: Crystal Packing Dependence and Stimuli-Responsive Fluorescence Switching. |
| Authors of publication | Pati, Avik Kumar; Gharpure, Santosh J.; Mishra, Ashok K. |
| Journal of publication | The journal of physical chemistry. A |
| Year of publication | 2015 |
| Journal volume | 119 |
| Journal issue | 42 |
| Pages of publication | 10481 - 10493 |
| a | 9.9486 ± 0.0011 Å |
| b | 10.079 ± 0.0015 Å |
| c | 10.8072 ± 0.0015 Å |
| α | 100.318 ± 0.005° |
| β | 90.072 ± 0.005° |
| γ | 96.899 ± 0.005° |
| Cell volume | 1058.1 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0938 |
| Residual factor for significantly intense reflections | 0.0595 |
| Weighted residual factors for significantly intense reflections | 0.1771 |
| Weighted residual factors for all reflections included in the refinement | 0.2056 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 236403 (current) | 2019-11-24 | cif/ Adding structures of 1553998 via cif-deposit CGI script. |
1553998.cif |
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Users of the data should acknowledge the original authors of the
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