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Information card for entry 4339837
Preview
Coordinates | 4339837.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H67 Cl3 N4 O18 |
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Calculated formula | C50 H67 Cl3 N4 O18 |
SMILES | [NH+]1(CCOCC[NH2+]CCOCCOCC1)Cc1c2ccccc2cc2ccccc12.[NH+]1(CCOCCNCCOCCOCC1)Cc1c2ccccc2cc2ccccc12.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
Title of publication | New fluorescent chemosensors for heavy metal ions based on functionalized pendant arm derivatives of 7-anthracenylmethyl-1,4,10-trioxa-7,13-diazacyclopentadecane. |
Authors of publication | Aragoni, M. Carla; Arca, Massimiliano; Bencini, Andrea; Blake, Alexander J.; Caltagirone, Claudia; Danesi, Andrea; Devillanova, Francesco A.; Garau, Alessandra; Gelbrich, Thomas; Isaia, Francesco; Lippolis, Vito; Hursthouse, Michael B.; Valtancoli, Barbara; Wilson, Claire |
Journal of publication | Inorganic chemistry |
Year of publication | 2007 |
Journal volume | 46 |
Journal issue | 19 |
Pages of publication | 8088 - 8097 |
a | 10.3932 ± 0.001 Å |
b | 11.8701 ± 0.0011 Å |
c | 12.1822 ± 0.0012 Å |
α | 99.017 ± 0.002° |
β | 98.096 ± 0.001° |
γ | 113.352 ± 0.001° |
Cell volume | 1328.2 ± 0.2 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.0724 |
Residual factor for significantly intense reflections | 0.0565 |
Weighted residual factors for significantly intense reflections | 0.1251 |
Weighted residual factors for all reflections included in the refinement | 0.1321 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
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/4339837.html
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Users of the data should acknowledge the original authors of the
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