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Information card for entry 7051806
Preview
Coordinates | 7051806.cif |
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Original paper (by DOI) | HTML |
Formula | C36 H32 B F2 N5 |
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Calculated formula | C36 H32 B F2 N5 |
SMILES | F[B]1(F)[n]2c(=Nc3n1c(cc3c1ccc(cc1)N(C)C)c1ccccc1)c(cc2c1ccccc1)c1ccc(cc1)N(C)C |
Title of publication | A substituted BF2-chelated tetraarylazadipyrromethene as an intrinsic dual chemosensor in the 650‒850 nm spectral range |
Authors of publication | Killoran, John; McDonnell, Shane O.; Gallagher, John F.; O’Shea, Donal F. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2008 |
Journal volume | 32 |
Journal issue | 3 |
Pages of publication | 483 |
a | 10.372 ± 0.01 Å |
b | 14.25 ± 0.013 Å |
c | 21.168 ± 0.015 Å |
α | 106.19 ± 0.08° |
β | 91.03 ± 0.11° |
γ | 92.06 ± 0.09° |
Cell volume | 3001 ± 5 Å3 |
Cell temperature | 294 ± 2 K |
Ambient diffraction temperature | 294 ± 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 | 0.4138 |
Residual factor for significantly intense reflections | 0.1541 |
Weighted residual factors for significantly intense reflections | 0.3428 |
Weighted residual factors for all reflections included in the refinement | 0.492 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MolybdenumKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7051806.html
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