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Information card for entry 2300697
Preview
| Coordinates | 2300697.cif |
|---|---|
| Structure factors | 2300697.hkl |
| Original paper (by DOI) | HTML |
| Formula | C6 H10 O5 |
|---|---|
| Calculated formula | C6 H10 O5 |
| Title of publication | Growth and characterization of large centimetre-size levoglucosan single crystals |
| Authors of publication | Lu, Guihua; Zhou, Hengwei; Wei, Lai; Zhao, Xingyu; Li, Zhipeng; Huang, Yineng |
| Journal of publication | Journal of Applied Crystallography |
| Year of publication | 2023 |
| Journal volume | 56 |
| Journal issue | 2 |
| Pages of publication | 468 - 476 |
| a | 6.6457 ± 0.0018 Å |
| b | 7.476 ± 0.002 Å |
| c | 13.26 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 658.8 ± 0.3 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 197.65 K |
| Number of distinct elements | 3 |
| 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 | 0.0369 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.0722 |
| Weighted residual factors for all reflections included in the refinement | 0.0751 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.103 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282411 (current) | 2023-04-05 | cif/ hkl/ Adding structures of 2300695, 2300696, 2300697 via cif-deposit CGI script. |
2300697.cif 2300697.hkl |
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Users of the data should acknowledge the original authors of the
structural data.