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Information card for entry 4306819
Preview
| Coordinates | 4306819.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H46 B2 N4 Si4 |
|---|---|
| Calculated formula | C32 H46 B2 N4 Si4 |
| SMILES | B1N(c2c3c(N1[Si](C)(C)C)ccc1c3c(c3ccc4c5c(N(BN4[Si](C)(C)C)[Si](C)(C)C)ccc1c35)cc2)[Si](C)(C)C |
| Title of publication | Putting Group 13 Elements onto Perylenes: Highly Fluorescent N-B-N- and N-Al-N-substituted Polycyclic Aromatics |
| Authors of publication | Till Riehm; Hubert Wadepohl; Lutz H. Gade |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 11467 - 11469 |
| a | 6.871 ± 0.0007 Å |
| b | 19.769 ± 0.002 Å |
| c | 12.6216 ± 0.0013 Å |
| α | 90° |
| β | 99.396 ± 0.002° |
| γ | 90° |
| Cell volume | 1691.4 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0694 |
| Residual factor for significantly intense reflections | 0.0443 |
| Weighted residual factors for significantly intense reflections | 0.1083 |
| Weighted residual factors for all reflections included in the refinement | 0.1333 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.111 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4306819.cif |
| 179106 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/68. |
4306819.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4306819.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4306819.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4306819.cif |
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Users of the data should acknowledge the original authors of the
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