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Information card for entry 1549761
Preview
Coordinates | 1549761.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48.25 H44.5 Cl0.5 N2 O9 |
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Calculated formula | C48.25 H44.5 Cl0.5 N2 O9 |
SMILES | c1(ccc2ccc3cccc4ccc1c2c34)NC(=O)[C@H]1C(=C)OCCOCCO[C@H](C(=C)OCCOCCO1)C(=O)Nc1ccc2c3c1ccc1cccc(cc2)c31.c1(ccc2ccc3cccc4ccc1c2c34)NC(=O)[C@@H]1C(=C)OCCOCCO[C@@H](C(=C)OCCOCCO1)C(=O)Nc1ccc2ccc3cccc4ccc1c2c34.O.O.C(Cl)Cl |
Title of publication | Combined reversible switching of ECD and quenching of CPL with chiral fluorescent macrocycles. |
Authors of publication | Homberg, Alexandre; Brun, Elodie; Zinna, Francesco; Pascal, Simon; Górecki, Marcin; Monnier, Luc; Besnard, Céline; Pescitelli, Gennaro; Di Bari, Lorenzo; Lacour, Jérôme |
Journal of publication | Chemical science |
Year of publication | 2018 |
Journal volume | 9 |
Journal issue | 35 |
Pages of publication | 7043 - 7052 |
a | 14.0049 ± 0.0002 Å |
b | 23.6564 ± 0.0003 Å |
c | 26.0431 ± 0.0004 Å |
α | 71.035 ± 0.001° |
β | 82.975 ± 0.001° |
γ | 82.271 ± 0.001° |
Cell volume | 8057.2 ± 0.2 Å3 |
Cell temperature | 180 ± 2 K |
Ambient diffraction temperature | 180 ± 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 | 0.0691 |
Residual factor for significantly intense reflections | 0.0533 |
Weighted residual factors for significantly intense reflections | 0.1522 |
Weighted residual factors for all reflections included in the refinement | 0.1677 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.996 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/1549761.html
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Users of the data should acknowledge the original authors of the
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