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Information card for entry 7053977
Preview
Coordinates | 7053977.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H29 F6 N5 O8 S2 |
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Calculated formula | C24 H29 F6 N5 O8 S2 |
SMILES | C1C[NH2+]CCNCC[NH2+]CCNc2cccc3c2C(=O)c2c(cccc2N1)C3=O.C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-] |
Title of publication | Towards sensory Langmuir monolayers consisting of macrocyclic pentaaminoanthraquinone |
Authors of publication | Ranyuk, Elena; Ermakova, Elizaveta V.; Bovigny, Laura; Meyer, Michel; Bessmertnykh-Lemeune, Alla; Guilard, Roger; Rousselin, Yoann; Tsivadze, Aslan Yu.; Arslanov, Vladimir V. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2014 |
Journal volume | 38 |
Journal issue | 1 |
Pages of publication | 317 |
a | 9.2673 ± 0.0002 Å |
b | 10.8959 ± 0.0003 Å |
c | 15.1558 ± 0.0005 Å |
α | 94.759 ± 0.001° |
β | 91.357 ± 0.001° |
γ | 105.731 ± 0.001° |
Cell volume | 1466.27 ± 0.07 Å3 |
Cell temperature | 115 K |
Ambient diffraction temperature | 115 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 | 0.0841 |
Residual factor for significantly intense reflections | 0.0443 |
Weighted residual factors for significantly intense reflections | 0.0993 |
Weighted residual factors for all reflections included in the refinement | 0.1146 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα~1~ |
Diffraction radiation X-ray symbol | K-L~3~ |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.