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Information card for entry 1558146
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1558146.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H18 N2 O3 |
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Calculated formula | C23 H18 N2 O3 |
SMILES | O(c1c(c(ccc1)C#N)C#N)c1c(cc(cc1COCC#C)C)COCC#C |
Title of publication | Dually directional glycosylated phthalocyanines as extracellular red-emitting fluorescent probes. |
Authors of publication | Husain, Ali; Ganesan, Asaithampi; Machacek, Miloslav; Cerveny, Lukas; Kubat, Pavel; Ghazal, Basma; Zimcik, Petr; Makhseed, Saad |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2020 |
Journal volume | 49 |
Journal issue | 28 |
Pages of publication | 9605 - 9617 |
a | 10.4756 ± 0.0007 Å |
b | 11.1851 ± 0.0008 Å |
c | 11.4936 ± 0.0008 Å |
α | 101.408 ± 0.007° |
β | 107.744 ± 0.008° |
γ | 117.153 ± 0.009° |
Cell volume | 1047.2 ± 0.2 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.0457 |
Weighted residual factors for all reflections included in the refinement | 0.1759 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
Diffraction radiation wavelength | 0.71075 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/1558146.html
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Users of the data should acknowledge the original authors of the
structural data.