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Information card for entry 2300711
Preview
| Coordinates | 2300711.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H10 O2 S |
|---|---|
| Calculated formula | C11 H10 O2 S |
| Title of publication | Indium <i>K</i>α radiation from a MetalJet X-ray source: the long way to a successful charge-density investigation. |
| Authors of publication | Graw, Nico; Ruth, Paul Niklas; Ernemann, Tobias; Herbst-Irmer, Regine; Stalke, Dietmar |
| Journal of publication | Journal of applied crystallography |
| Year of publication | 2023 |
| Journal volume | 56 |
| Journal issue | Pt 5 |
| Pages of publication | 1315 - 1321 |
| a | 5.86 ± 0.002 Å |
| b | 8.933 ± 0.002 Å |
| c | 18.341 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 960.1 ± 0.4 Å3 |
| Cell temperature | 110 ± 2 K |
| Ambient diffraction temperature | 110 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.01 |
| Residual factor for significantly intense reflections | 0.01 |
| Weighted residual factors for all reflections included in the refinement | 0.014 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.15 |
| Diffraction radiation wavelength | 0.5134 Å |
| Diffraction radiation type | InKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 286840 (current) | 2023-10-07 | cif/ Updating files of 2300711 Original log message: Adding full bibliography for 2300711.cif. |
2300711.cif |
| 286221 | 2023-09-06 | cif/ hkl/ Adding structures of 2300711 via cif-deposit CGI script. |
2300711.cif |
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