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Information card for entry 7048332
Preview
| Coordinates | 7048332.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (4-(1'H-[1,3'-bipyrazol]-1'-yl) phenyl) (4-(10H-phenoxazin-10-yl)phenyl)methanone |
|---|---|
| Formula | C31 H21 N5 O2 |
| Calculated formula | C31 H21 N5 O2 |
| Title of publication | A rationally designed vapoluminescent compound with adsorptive channels and responsive luminophores for volatile organic compounds (VOCs). |
| Authors of publication | Yang, Mingxue; Li, Xiao-Ning; Jia, Ji-Hui; Chen, Xu-Lin; Lu, Can-Zhong |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 4 |
| Pages of publication | 1179 - 1183 |
| a | 17.7416 ± 0.0004 Å |
| b | 5.5858 ± 0.0001 Å |
| c | 24.5679 ± 0.0008 Å |
| α | 90° |
| β | 102.175 ± 0.003° |
| γ | 90° |
| Cell volume | 2379.94 ± 0.11 Å3 |
| Cell temperature | 100 ± 0.2 K |
| Ambient diffraction temperature | 100 ± 0.2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0452 |
| Residual factor for significantly intense reflections | 0.0369 |
| Weighted residual factors for significantly intense reflections | 0.0883 |
| Weighted residual factors for all reflections included in the refinement | 0.0943 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 224076 (current) | 2019-11-07 | cif/ Updating files of 7048330, 7048331, 7048332, 7048333 Original log message: Adding full bibliography for 7048330--7048333.cif. |
7048332.cif |
| 212512 | 2018-12-11 | cif/ Adding structures of 7048330, 7048331, 7048332, 7048333 via cif-deposit CGI script. |
7048332.cif |
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Users of the data should acknowledge the original authors of the
structural data.