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Information card for entry 2022932
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| Coordinates | 2022932.cif |
|---|---|
| Structure factors | 2022932.hkl |
| Original IUCr paper | HTML |
| Common name | 2,9,11,18,20,27-Hexaaza-1,10,19-triboraheptacyclo[18.7.0.0^2,10^.0^3,8^.0^11,19^.0^12,17^.0^21,26^]heptacosa-3(8),4,6,12(17),13,15,21(26),22,24-nonaene |
|---|---|
| Chemical name | Triazatriborinotris[1,3,2]benzodiazaborole acetone disolvate |
| Formula | C24 H27 B3 N6 O2 |
| Calculated formula | C24 H27 B3 N6 O2 |
| Title of publication | Crystal structure and Hirshfeld surface analysis of tri-aza-triborinotris[1,3,2]benzodi-aza-borole acetone disolvate. |
| Authors of publication | Streeter, Cole; Wheeler, Kraig A.; Lamm, Ashley N. |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2023 |
| Journal volume | 79 |
| Journal issue | Pt 11 |
| Pages of publication | 1104 - 1108 |
| a | 5.8357 ± 0.0004 Å |
| b | 13.6362 ± 0.0009 Å |
| c | 15.4653 ± 0.001 Å |
| α | 97.595 ± 0.003° |
| β | 96.957 ± 0.003° |
| γ | 99.771 ± 0.003° |
| Cell volume | 1189.13 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.046 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.0896 |
| Weighted residual factors for all reflections included in the refinement | 0.0948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288132 (current) | 2023-12-07 | cif/ Updating files of 2022932 Original log message: Adding full bibliography for 2022932.cif. |
2022932.cif 2022932.hkl |
| 287193 | 2023-11-01 | cif/ hkl/ Adding structures of 2022932 via cif-deposit CGI script. |
2022932.cif 2022932.hkl |
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