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Information card for entry 7055571
Preview
Coordinates | 7055571.cif |
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Original paper (by DOI) | HTML |
Formula | C46 H42 N6 O4 S |
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Calculated formula | C46 H42 N6 O4 S |
SMILES | s1c(nc2ccccc12)c1nc2c(OCC(=O)NCCN3C4(c5cc(c(NCC)cc5Oc5cc(NCC)c(cc45)C)C)c4ccccc4C3=O)cccc2cc1 |
Title of publication | FRET-based fluorescence ratiometric and colorimetric sensor to discriminate Fe3+from Fe2+ |
Authors of publication | Das, Sangita; Aich, Krishnendu; Goswami, Shyamaprosad; Quah, Ching Kheng; Fun, Hoong-Kun |
Journal of publication | New J. Chem. |
Year of publication | 2016 |
Journal volume | 40 |
Journal issue | 7 |
Pages of publication | 6414 |
a | 9.0642 ± 0.0011 Å |
b | 11.8519 ± 0.0014 Å |
c | 18.732 ± 0.002 Å |
α | 86.072 ± 0.002° |
β | 83.458 ± 0.002° |
γ | 81.905 ± 0.002° |
Cell volume | 1976.5 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0791 |
Residual factor for significantly intense reflections | 0.0481 |
Weighted residual factors for significantly intense reflections | 0.1027 |
Weighted residual factors for all reflections included in the refinement | 0.119 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
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/7055571.html
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Users of the data should acknowledge the original authors of the
structural data.