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Information card for entry 1505526
Preview
Coordinates | 1505526.cif |
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Original paper (by DOI) | HTML |
Formula | C22 H15 Cl N2 O2 |
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Calculated formula | C22 H15 Cl N2 O2 |
SMILES | Clc1ccccc1C(=O)c1c(nn(c1O)c1ccccc1)c1ccccc1 |
Title of publication | Synthesis and solid-state photochromism of 1,3-diphenyl-4- (2-chlorobenzal)-5-hydroxypyrazole 4-methylthiosemicarbazone. |
Authors of publication | Guo, Jixi; Liu, Lang; Liu, Guangfei; Jia, Dianzeng; Xie, Xiaolin |
Journal of publication | Organic letters |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 20 |
Pages of publication | 3989 - 3992 |
a | 16.0128 ± 0.0008 Å |
b | 6.0024 ± 0.0003 Å |
c | 18.8175 ± 0.0011 Å |
α | 90° |
β | 104.291 ± 0.002° |
γ | 90° |
Cell volume | 1752.68 ± 0.16 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0824 |
Residual factor for significantly intense reflections | 0.0649 |
Weighted residual factors for significantly intense reflections | 0.1741 |
Weighted residual factors for all reflections included in the refinement | 0.1867 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1505526.html
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