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Information card for entry 7115652
Preview
Coordinates | 7115652.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H24 N2 O10 Se |
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Calculated formula | C23 H24 N2 O10 Se |
SMILES | [se]1c(ncc1C(=O)OCC)c1oc2c(c1)cc(OCC(=O)OC)c(N(CC(=O)OC)CC(=O)OC)c2 |
Title of publication | Enhanced ratiometric fluorescent indicators for magnesium based on azoles of the heavier chalcogens |
Authors of publication | Mohammad S. Afzal; Jean-Philippe Pitteloud; Daniela Buccella |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 11358 |
a | 10.0929 ± 0.0006 Å |
b | 11.5641 ± 0.0007 Å |
c | 11.7886 ± 0.0007 Å |
α | 67.928 ± 0.001° |
β | 77.776 ± 0.001° |
γ | 67.513 ± 0.001° |
Cell volume | 1174.4 ± 0.12 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 | 0.0452 |
Residual factor for significantly intense reflections | 0.0341 |
Weighted residual factors for significantly intense reflections | 0.0759 |
Weighted residual factors for all reflections included in the refinement | 0.0809 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7115652.html
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Users of the data should acknowledge the original authors of the
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