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Information card for entry 4513659
Preview
| Coordinates | 4513659.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H54 N8 Si2 |
|---|---|
| Calculated formula | C52 H54 N8 Si2 |
| Title of publication | Highly Ordered Phenanthroline-Fused Azaacene |
| Authors of publication | An, Cunbin; Guo, Xin; Baumgarten, Martin |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 11 |
| Pages of publication | 5240 |
| a | 8.2898 ± 0.0008 Å |
| b | 9.0365 ± 0.0008 Å |
| c | 15.8931 ± 0.0016 Å |
| α | 84.845 ± 0.008° |
| β | 84.909 ± 0.008° |
| γ | 74.567 ± 0.008° |
| Cell volume | 1140.38 ± 0.19 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 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 | 0.0987 |
| Residual factor for significantly intense reflections | 0.0513 |
| Weighted residual factors for significantly intense reflections | 0.1185 |
| Weighted residual factors for all reflections included in the refinement | 0.1386 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170053 (current) | 2015-11-06 | cif/ Updating files of 4513659, 4513660 Original log message: Adding full bibliography for 4513659--4513660.cif. |
4513659.cif |
| 160578 | 2015-10-07 | cif/ Adding structures of 4513659 via cif-deposit CGI script. |
4513659.cif |
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Users of the data should acknowledge the original authors of the
structural data.