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Information card for entry 7236454
Preview
| Coordinates | 7236454.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H44 N2 O2 S2 |
|---|---|
| Calculated formula | C38 H44 N2 O2 S2 |
| Title of publication | Adamantane substitutions: a path to high-performing, soluble, versatile and sustainable organic semiconducting materials |
| Authors of publication | Kovalenko, Alexander; Yumusak, Cigdem; Heinrichova, Patricie; Stritesky, Stanislav; Fekete, Ladislav; Vala, Martin; Weiter, Martin; Sariciftci, Niyazi Serdar; Krajcovic, Jozef |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2017 |
| Journal volume | 5 |
| Journal issue | 19 |
| Pages of publication | 4716 |
| a | 6.4833 ± 0.0005 Å |
| b | 7.3435 ± 0.0005 Å |
| c | 32.625 ± 0.002 Å |
| α | 90° |
| β | 92.537 ± 0.003° |
| γ | 90° |
| Cell volume | 1551.76 ± 0.19 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0367 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0862 |
| Weighted residual factors for all reflections included in the refinement | 0.0877 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7236454.cif |
| 235539 | 2019-11-23 | cif/ Adding structures of 7236454 via cif-deposit CGI script. |
7236454.cif |
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Users of the data should acknowledge the original authors of the
structural data.