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Information card for entry 7215808
Preview
| Coordinates | 7215808.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H20 B F4 N O2 |
|---|---|
| Calculated formula | C17 H20 B F4 N O2 |
| Title of publication | Influence of the anion nature on styryl dye crystal packing and feasibility of the direct and back [2 + 2] photocycloaddition reactions without single crystal degradation |
| Authors of publication | Kuz'mina, Lyudmila G.; Vedernikov, Artem I.; Churakov, Andrei V.; Lermontova, Elmira Kh.; Howard, Judith A. K.; Alfimov, Michael V.; Gromov, Sergey P. |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 24 |
| Pages of publication | 5364 |
| a | 7.319 ± 0.002 Å |
| b | 20.852 ± 0.007 Å |
| c | 11.302 ± 0.004 Å |
| α | 90° |
| β | 91.835 ± 0.005° |
| γ | 90° |
| Cell volume | 1724 ± 1 Å3 |
| Cell temperature | 170.2 ± 0.2 K |
| Ambient diffraction temperature | 170.15 K |
| Number of distinct elements | 6 |
| 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 | 0.083 |
| Residual factor for significantly intense reflections | 0.0601 |
| Weighted residual factors for significantly intense reflections | 0.1668 |
| Weighted residual factors for all reflections included in the refinement | 0.1791 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7215808.cif |
| 180489 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/58. |
7215808.cif |
| 116175 | 2014-06-07 | cif/ Updating files of 7215801, 7215802, 7215803, 7215804, 7215805, 7215806, 7215807, 7215808 Original log message: Adding full bibliography for 7215801--7215808.cif. |
7215808.cif |
| 113256 | 2014-05-09 | cif/ Adding structures of 7215801, 7215802, 7215803, 7215804, 7215805, 7215806, 7215807, 7215808 via cif-deposit CGI script. |
7215808.cif |
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Users of the data should acknowledge the original authors of the
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