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Information card for entry 7207678
Preview
| Coordinates | 7207678.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C39 H36 B F2 N5 |
|---|---|
| Calculated formula | C39 H36 B F2 N5 |
| SMILES | F[B]1(F)[n]2c(c(c(c2=C(c2n1c(c(c2C)CC)C)c1ccc(cc1)c1nnn(c1)c1cccc2cc3ccccc3cc12)C)CC)C |
| Title of publication | Exploring Förster electronic energy transfer in a decoupled anthracenyl-based borondipyrromethene (bodipy) dyad. |
| Authors of publication | Bai, Dan; Benniston, Andrew C.; Hagon, Jerry; Lemmetyinen, Helge; Tkachenko, Nikolai V.; Clegg, William; Harrington, Ross W. |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 13 |
| Pages of publication | 4447 - 4456 |
| a | 11.893 ± 0.0003 Å |
| b | 15.14 ± 0.0003 Å |
| c | 17.8155 ± 0.0004 Å |
| α | 90° |
| β | 93.888 ± 0.002° |
| γ | 90° |
| Cell volume | 3200.48 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0505 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.1157 |
| Weighted residual factors for all reflections included in the refinement | 0.1211 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7207678.cif |
| 180407 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/76. |
7207678.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207678.cif |
| 52065 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 7207677, 7207678 via cif-deposit CGI script. |
7207678.cif |
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