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Information card for entry 2241925
Preview
| Coordinates | 2241925.cif |
|---|---|
| Structure factors | 2241925.hkl |
| Original paper (by DOI) | HTML |
| Common name | Nonacyclo[14.6.6.6^5,12^.0^2,15^.0^4,13^.0^6,11^.0^17,22^.0^23,28^.0^29,34^]tetratriaconta-2(15),4(13),6,8,10,17,19,21,23,25,27,29(34),30,32-tetradecaene-3,14-dione |
|---|---|
| Chemical name | 5,7,12,14-Tetrahydro-5,14:7,12-bis([1,2]benzeno)pentacene-6,13-dione |
| Formula | C34 H20 O2 |
| Calculated formula | C34 H20 O2 |
| Title of publication | Crystal structure of 5,7,12,14-tetrahydro-5,14:7,12-bis([1,2]benzeno)pentacene-6,13-dione |
| Authors of publication | Nozari, Mohammad; Jasinski, Jerry P.; Kaur, Manpreet; Addison, Anthony W.; Arabi Shamsabadi, Ahmad; Soroush, Masoud |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 12 |
| Pages of publication | 1734 - 1738 |
| a | 10.3419 ± 0.0004 Å |
| b | 11.7885 ± 0.0006 Å |
| c | 19.2267 ± 0.0011 Å |
| α | 77.606 ± 0.005° |
| β | 89.306 ± 0.004° |
| γ | 86.658 ± 0.004° |
| Cell volume | 2285.5 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.0704 |
| Residual factor for significantly intense reflections | 0.0568 |
| Weighted residual factors for significantly intense reflections | 0.1485 |
| Weighted residual factors for all reflections included in the refinement | 0.1612 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 187833 (current) | 2016-11-05 | cif/ hkl/ Adding structures of 2241925 via cif-deposit CGI script. |
2241925.cif 2241925.hkl |
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