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Information card for entry 1546985
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1546985.cif |
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Original paper (by DOI) | HTML |
Formula | C35 H29 Cl N2 O6 |
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Calculated formula | C35 H29 Cl N2 O6 |
SMILES | Cl(=O)(=O)(=O)[O-].O(c1ccc2[N+](=C/C=C/c3ccc(N(c4ccccc4)c4ccccc4)cc3)c3c(c2c1)cc(OC)cc3)C |
Title of publication | Deep Blue Asymmetrical Streptocyanine Dyes: Synthesis, Spectroscopic Characterizations, and Ion-Specific Cooperative Adsorption at the Surface of TiO2 Anatase Nanoparticles |
Authors of publication | Harlé, Jean-Baptiste; Mine, Shinya; Kamegawa, Takashi; Nguyen, Van Tay; Maeda, Takeshi; Nakazumi, Hiroyuki; Fujiwara, Hideki |
Journal of publication | The Journal of Physical Chemistry C |
Year of publication | 2017 |
Journal volume | 121 |
Journal issue | 28 |
Pages of publication | 15049 |
a | 15.576 ± 0.004 Å |
b | 13.62 ± 0.003 Å |
c | 30.334 ± 0.008 Å |
α | 90° |
β | 92.976 ± 0.006° |
γ | 90° |
Cell volume | 6427 ± 3 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for significantly intense reflections | 0.0941 |
Weighted residual factors for all reflections included in the refinement | 0.1188 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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