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Information card for entry 1569470
Preview
| Coordinates | 1569470.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H44 |
|---|---|
| Calculated formula | C44 H44 |
| Title of publication | 4,5-Di-tert-butyl-1,3,6,8-tetraphenyl-4,5,8a,8b-tetrahydro-as-indacene |
| Authors of publication | Colon-Madera, Shakira I.; Jennings, Abby R.; Iacono, Scott T.; Balaich, Gary J. |
| Journal of publication | Molbank |
| Year of publication | 2023 |
| Journal volume | 2023 |
| Journal issue | 2 |
| Pages of publication | M1663 |
| a | 13.6616 ± 0.0001 Å |
| b | 19.0942 ± 0.0001 Å |
| c | 25.6524 ± 0.0002 Å |
| α | 90° |
| β | 101.455 ± 0.001° |
| γ | 90° |
| Cell volume | 6558.33 ± 0.08 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0417 |
| Residual factor for significantly intense reflections | 0.0353 |
| Weighted residual factors for significantly intense reflections | 0.0883 |
| Weighted residual factors for all reflections included in the refinement | 0.0917 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 285029 (current) | 2023-07-06 | cif/ Adding structures of 1569470 via cif-deposit CGI script. |
1569470.cif |
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Users of the data should acknowledge the original authors of the
structural data.