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Information card for entry 4325039
Preview
Coordinates | 4325039.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H13 B F2 N2 O3 |
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Calculated formula | C18 H13 B F2 N2 O3 |
SMILES | [B]1(F)(F)[n]2c(C=O)ccc2=C(c2n1c(cc2)C=O)c1ccc(OC)cc1 |
Title of publication | 3,5-Diformylboron Dipyrromethenes as Fluorescent pH Sensors |
Authors of publication | Sheri Madhu; Malakalapalli Rajeswara Rao; Mushtaque S. Shaikh; Mangalampalli Ravikanth |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 4392 - 4400 |
a | 8.3581 ± 0.0007 Å |
b | 8.4877 ± 0.0004 Å |
c | 11.1726 ± 0.0007 Å |
α | 101.287 ± 0.005° |
β | 91.684 ± 0.005° |
γ | 93.778 ± 0.005° |
Cell volume | 774.85 ± 0.09 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 | 0.0532 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for significantly intense reflections | 0.1184 |
Weighted residual factors for all reflections included in the refinement | 0.1222 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.974 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4325039.html
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