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Information card for entry 1566006
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1566006.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H20 N2 O5 |
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Calculated formula | C21 H20 N2 O5 |
SMILES | c1(c(c2ccccc2cc1)/C=N/OCCO/N=C/c1c(cc(cc1)OC)O)O |
Title of publication | A unitary fluorescence probe to sense Co2+: Validated by theoretical studies and X-ray crystallography |
Authors of publication | Yao, Guang-Xu; Zhang, Jin-Qiang; Li, Peng; Liu, Hui; Wang, Li; Sun, Yin-Xia; Dong, Wen-Kui |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2022 |
Journal volume | 529 |
Pages of publication | 120642 |
a | 28.4132 ± 0.0018 Å |
b | 4.957 ± 0.0003 Å |
c | 25.9948 ± 0.0012 Å |
α | 90° |
β | 91.098 ± 0.004° |
γ | 90° |
Cell volume | 3660.5 ± 0.4 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0922 |
Residual factor for significantly intense reflections | 0.0549 |
Weighted residual factors for significantly intense reflections | 0.1183 |
Weighted residual factors for all reflections included in the refinement | 0.1381 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.08 |
Diffraction radiation wavelength | 0.71073 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/1566006.html
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Users of the data should acknowledge the original authors of the
structural data.