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Information card for entry 7054068
Preview
Coordinates | 7054068.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H16 B2 F4 N4 O2 |
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Calculated formula | C24 H16 B2 F4 N4 O2 |
SMILES | [B]1(F)(F)[n]2cccc2=C(Oc2cccc(OC3=c4[n]([B](F)(F)n5c3ccc5)ccc4)c2)c2n1ccc2 |
Title of publication | meso-Aryloxy and meso-arylaza linked BODIPY dimers: synthesis, structures and properties |
Authors of publication | Misra, Rajneesh; Dhokale, Bhausaheb; Jadhav, Thaksen; Mobin, Shaikh M. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2014 |
Journal volume | 38 |
Journal issue | 8 |
Pages of publication | 3579 |
a | 9.9907 ± 0.0007 Å |
b | 10.7791 ± 0.0009 Å |
c | 11.2843 ± 0.0009 Å |
α | 81.573 ± 0.007° |
β | 66.188 ± 0.008° |
γ | 83.531 ± 0.007° |
Cell volume | 1097.84 ± 0.16 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0491 |
Residual factor for significantly intense reflections | 0.0393 |
Weighted residual factors for significantly intense reflections | 0.1004 |
Weighted residual factors for all reflections included in the refinement | 0.11 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
Diffraction radiation wavelength | 1.5418 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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