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Information card for entry 7218986
Preview
Coordinates | 7218986.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H21 Cl3 N4 O S2 |
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Calculated formula | C27 H21 Cl3 N4 O S2 |
SMILES | c1ccc2c3c(c4cccnc4c2n1)nc(c1ccc(c2ccc(C=O)s2)s1)n3CCCC.C(Cl)(Cl)Cl |
Title of publication | Simultaneous enhancement of fluorescence and solubility by N-alkylation and functionalization of 2-(2-thienyl)imidazo[4,5-f][1,10]-phenanthroline with heterocyclic bridges |
Authors of publication | Peng, Yu-Xin; Wang, Na; Dai, Yuan; Hu, Bin; Ma, Bin Bin; Huang, Wei |
Journal of publication | RSC Adv. |
Year of publication | 2014 |
a | 5.2878 ± 0.0014 Å |
b | 33.975 ± 0.009 Å |
c | 14.927 ± 0.004 Å |
α | 90° |
β | 97.61 ± 0.005° |
γ | 90° |
Cell volume | 2658.1 ± 1.2 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.1198 |
Residual factor for significantly intense reflections | 0.0535 |
Weighted residual factors for significantly intense reflections | 0.1192 |
Weighted residual factors for all reflections included in the refinement | 0.1393 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
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/7218986.html
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