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Information card for entry 7121969
Preview
| Coordinates | 7121969.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | X61 |
|---|---|
| Chemical name | N2',N2',N7',N7'-tetrakis(4-methoxyphenyl)spiro[dibenzo[c,h]xanthene-7,9'-fluorene]-2',7'-diamine |
| Formula | C61 H46 N2 O5 |
| Calculated formula | C61 H46 N2 O5 |
| Title of publication | Design and synthesis of dopant-free organic hole-transport materials for perovskite solar cells. |
| Authors of publication | Wang, Linqin; Zhang, Jinbao; Liu, Peng; Xu, Bo; Zhang, Biaobiao; Chen, Hong; Inge, A. Ken; Li, Yuanyuan; Wang, Haoxin; Cheng, Yi-Bing; Kloo, Lars; Sun, Licheng |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2018 |
| Journal volume | 54 |
| Journal issue | 69 |
| Pages of publication | 9571 - 9574 |
| a | 10.6341 ± 0.0005 Å |
| b | 16.3753 ± 0.0007 Å |
| c | 17.6369 ± 0.0008 Å |
| α | 64.812 ± 0.002° |
| β | 87.802 ± 0.002° |
| γ | 88.57 ± 0.002° |
| Cell volume | 2777 ± 0.2 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1418 |
| Residual factor for significantly intense reflections | 0.089 |
| Weighted residual factors for significantly intense reflections | 0.2461 |
| Weighted residual factors for all reflections included in the refinement | 0.2868 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
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