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Information card for entry 1547199
Preview
| Coordinates | 1547199.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C22 H16 O2 |
|---|---|
| Calculated formula | C22 H16 O2 |
| SMILES | c12ccc(c3ccc4c(c(cc1)ccc4)c23)C=C(C(=O)C)C(=O)C |
| Title of publication | Highly Selective Sub-ppm Naked-Eye Detection of Hydrazine with Conjugated-1,3-Diketo Probes: Imaging Hydrazine in Drosophila Larvae. |
| Authors of publication | Roy, Biswajit; Halder, Sudipta; Guha, Abhishek; Bandyopadhyay, Subhajit |
| Journal of publication | Analytical chemistry |
| Year of publication | 2017 |
| Journal volume | 89 |
| Journal issue | 19 |
| Pages of publication | 10625 - 10636 |
| a | 14.1242 ± 0.0011 Å |
| b | 7.793 ± 0.0005 Å |
| c | 14.2055 ± 0.001 Å |
| α | 90° |
| β | 100.715 ± 0.008° |
| γ | 90° |
| Cell volume | 1536.34 ± 0.19 Å3 |
| Cell temperature | 99.99 ± 0.1 K |
| Ambient diffraction temperature | 99.99 ± 0.1 K |
| Number of distinct elements | 3 |
| 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 | 0.058 |
| Residual factor for significantly intense reflections | 0.0482 |
| Weighted residual factors for significantly intense reflections | 0.1178 |
| Weighted residual factors for all reflections included in the refinement | 0.1258 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1547199.cif |
| 201744 | 2017-10-05 | cif/ Updating files of 1547198, 1547199, 1547200 Original log message: Adding full bibliography for 1547198--1547200.cif. |
1547199.cif |
| 200959 | 2017-09-17 | cif/ Adding structures of 1547199 via cif-deposit CGI script. |
1547199.cif |
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Users of the data should acknowledge the original authors of the
structural data.