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Information card for entry 8106976
Preview
| Coordinates | 8106976.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H14 I2 N2 |
|---|---|
| Calculated formula | C23 H14 I2 N2 |
| Title of publication | Crystal structure of 5,5-bis(4-iodophenyl)-5H-cyclopenta[2,1-b:3,4-b′]dipyridine, C23H14I2N2 |
| Authors of publication | Yin, Guo-jie |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 685 - 686 |
| a | 11.86217 ± 0.00015 Å |
| b | 11.86217 ± 0.00015 Å |
| c | 13.9664 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1965.23 ± 0.05 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0405 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.1015 |
| Weighted residual factors for all reflections included in the refinement | 0.1035 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282038 (current) | 2023-03-24 | cif/ Adding structures of 8106976 via cif-deposit CGI script. |
8106976.cif |
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Users of the data should acknowledge the original authors of the
structural data.