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Information card for entry 8107444
Preview
| Coordinates | 8107444.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H18 O9 |
|---|---|
| Calculated formula | C15 H18 O9 |
| Title of publication | The crystal structure of trimethyl 2,2′,2′′-(benzene-1,3,5-triyltris(oxy))triacetate, C15H18O9 |
| Authors of publication | Wang, Tiantian; Su, Yizi; Feng, Yunyun; Tan, Yuxing |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2023 |
| Journal volume | 238 |
| Journal issue | 2 |
| Pages of publication | 371 - 372 |
| a | 8.4962 ± 0.0007 Å |
| b | 8.6835 ± 0.0007 Å |
| c | 11.9767 ± 0.001 Å |
| α | 90.965 ± 0.001° |
| β | 94.946 ± 0.001° |
| γ | 115.931 ± 0.001° |
| Cell volume | 790.21 ± 0.11 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0348 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0835 |
| Weighted residual factors for all reflections included in the refinement | 0.0855 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285110 (current) | 2023-07-10 | cif/ Adding structures of 8107444 via cif-deposit CGI script. |
8107444.cif |
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Users of the data should acknowledge the original authors of the
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