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Information card for entry 8105463
Preview
| Coordinates | 8105463.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31 H26 Cl2 O6 |
|---|---|
| Calculated formula | C31 H26 Cl2 O6 |
| Title of publication | Crystal structure of 5,17-diformyl-25,26,27,28-tetrahydroxycalix[4]arene- dichloromethane, C31H26Cl2O6 |
| Authors of publication | Wu, Chong; Liu, Xiao-Long; An, Rui; Yang, Ye |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 6 |
| Pages of publication | 1349 - 1350 |
| a | 11.6965 ± 0.001 Å |
| b | 13.8078 ± 0.0011 Å |
| c | 16.3257 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2636.6 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 4 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.1014 |
| Residual factor for significantly intense reflections | 0.0765 |
| Weighted residual factors for significantly intense reflections | 0.1384 |
| Weighted residual factors for all reflections included in the refinement | 0.1487 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.193 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276169 (current) | 2022-06-23 | cif/ Adding structures of 8105463 via cif-deposit CGI script. |
8105463.cif |
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