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Information card for entry 7235351
Preview
| Coordinates | 7235351.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 4,4'-(buta-1,3-diyne-1,4-diyl)bis(N,N-diphenylaniline) |
|---|---|
| Formula | C40 H28 N2 |
| Calculated formula | C40 H28 N2 |
| Title of publication | Diacetylene bridged triphenylamines as hole transport materials for solid state dye sensitized solar cells |
| Authors of publication | Planells, Miquel; Abate, Antonio; Hollman, Derek J.; Stranks, Samuel D.; Bharti, Vishal; Gaur, Jitender; Mohanty, Dibyajyoti; Chand, Suresh; Snaith, Henry J.; Robertson, Neil |
| Journal of publication | Journal of Materials Chemistry A |
| Year of publication | 2013 |
| Journal volume | 1 |
| Journal issue | 23 |
| Pages of publication | 6949 |
| a | 8.0569 ± 0.0001 Å |
| b | 9.2642 ± 0.0002 Å |
| c | 18.9932 ± 0.0004 Å |
| α | 90° |
| β | 90.551 ± 0.002° |
| γ | 90° |
| Cell volume | 1417.6 ± 0.05 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0427 |
| Residual factor for significantly intense reflections | 0.036 |
| Weighted residual factors for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.0941 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 232714 (current) | 2019-11-23 | cif/ Adding structures of 7235351, 7235352 via cif-deposit CGI script. |
7235351.cif |
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