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Information card for entry 7020844
Preview
| Coordinates | 7020844.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | N-(dimesitylboryl)-2,5-di(2-thienyl)pyrrole |
|---|---|
| Chemical name | N-(dimesitylboryl)-2,5-di(2-thienyl)pyrrole |
| Formula | C30 H30 B N S2 |
| Calculated formula | C30 H30 B N S2 |
| Title of publication | TICT fluorescence of N-borylated 2,5-diarylpyrroles: a gear like dual motion in the excited state. |
| Authors of publication | Taniguchi, Takuhiro; Wang, Jian; Irle, Stephan; Yamaguchi, Shigehiro |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 3 |
| Pages of publication | 620 - 624 |
| a | 8.49 ± 0.03 Å |
| b | 12.61 ± 0.04 Å |
| c | 12.72 ± 0.06 Å |
| α | 105.34 ± 0.09° |
| β | 91.55 ± 0.08° |
| γ | 102.24 ± 0.08° |
| Cell volume | 1278 ± 9 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0942 |
| Residual factor for significantly intense reflections | 0.0639 |
| Weighted residual factors for significantly intense reflections | 0.1834 |
| Weighted residual factors for all reflections included in the refinement | 0.2078 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7020844.cif |
| 179913 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/08. |
7020844.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7020844.cif |
| 73682 | 2013-02-21 | cif/ Adding structures of 7020843, 7020844 via cif-deposit CGI script. |
7020844.cif |
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Users of the data should acknowledge the original authors of the
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