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Information card for entry 7055230
Preview
| Coordinates | 7055230.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H44 Na O8 |
|---|---|
| Calculated formula | C30 H44 Na O8 |
| SMILES | C1C[O]2CC[O]3CC[O]4CCOCC[O]5[Na]6234([O]1CC5)[O](CC[O]6C)C.c12cc3c(cc1cccc2)cccc3 |
| Title of publication | Isolation of gravimetrically quantifiable alkali metal arenides using 18-crown-6 |
| Authors of publication | Castillo, Maximiliano; Metta-Magaña, Alejandro J.; Fortier, Skye |
| Journal of publication | New J. Chem. |
| Year of publication | 2016 |
| Journal volume | 40 |
| Journal issue | 3 |
| Pages of publication | 1923 |
| a | 11.5114 ± 0.0007 Å |
| b | 11.8386 ± 0.0007 Å |
| c | 13.627 ± 0.0008 Å |
| α | 65.213 ± 0.001° |
| β | 70.169 ± 0.001° |
| γ | 63.751 ± 0.001° |
| Cell volume | 1484.9 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0938 |
| Residual factor for significantly intense reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.0873 |
| Weighted residual factors for all reflections included in the refinement | 0.1074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7055230.cif |
| 181765 | 2016-04-05 | cif/ Updating files of 7055227, 7055228, 7055229, 7055230, 7055231, 7055232, 7055233, 7055234, 7055235, 7055236, 7055237 Original log message: Adding full bibliography for 7055227--7055237.cif. |
7055230.cif |
| 171569 | 2015-12-17 | cif/ Adding structures of 7055227, 7055228, 7055229, 7055230, 7055231, 7055232, 7055233, 7055234, 7055235, 7055236, 7055237 via cif-deposit CGI script. |
7055230.cif |
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Users of the data should acknowledge the original authors of the
structural data.