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Information card for entry 7226518
Preview
| Coordinates | 7226518.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H14 B F2 N O S |
|---|---|
| Calculated formula | C18 H14 B F2 N O S |
| SMILES | S(c1c([N]2=Cc3c(O[B]2(F)F)ccc2c3cccc2)cccc1)C |
| Title of publication | Boranil dye based “turn-on” fluorescent probes for detection of hydrogen peroxide and their cell imaging application |
| Authors of publication | Shanmugapriya, Jayabalan; Rajaguru, Kandasamy; Sivaraman, Gandhi; Muthusubramanian, Shanmugam; Bhuvanesh, Nattamai |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 89 |
| Pages of publication | 85838 |
| a | 10.661 ± 0.002 Å |
| b | 11.234 ± 0.002 Å |
| c | 25.712 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3079.4 ± 1 Å3 |
| Cell temperature | 110.15 K |
| Ambient diffraction temperature | 110.15 K |
| Number of distinct elements | 7 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0675 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.0822 |
| Weighted residual factors for all reflections included in the refinement | 0.0915 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7226518.cif |
| 186504 | 2016-09-10 | cif/ Adding structures of 7226518, 7226519 via cif-deposit CGI script. |
7226518.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.