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Information card for entry 1519450
Preview
| Coordinates | 1519450.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Spiro-OMeTABPDOT |
|---|---|
| Chemical name | 4,4',4'',4'''-(2H,2'H,4H,4'H-3,3'-spiro-bi[thieno[3,4-b][1,4]dioxepine]-6, 6',8,8'-tetrayl)tetrakis(N,N-bis(4-methoxyphenyl)aniline) |
| Formula | C93 H80 N4 O24 S2 |
| Calculated formula | C93 H80 N4 O24 S2 |
| Title of publication | A simple spiro-type hole transporting material for efficient perovskite solar cells |
| Authors of publication | Ganesan, Paramaguru; Fu, Kunwu; Gao, Peng; Raabe, Ines; Schenk, Kurt; Scopelliti, Rosario; Luo, Jingshan; Wong, Lydia H.; Grätzel, Michael; Nazeeruddin, Mohammad Khaja |
| Journal of publication | Energy Environ. Sci. |
| Year of publication | 2015 |
| Journal volume | 8 |
| Journal issue | 7 |
| Pages of publication | 1986 |
| a | 43.879 ± 0.009 Å |
| b | 9.5887 ± 0.0019 Å |
| c | 25.05 ± 0.005 Å |
| α | 90° |
| β | 109.94 ± 0.03° |
| γ | 90° |
| Cell volume | 9908 ± 4 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 9 |
| Hermann-Mauguin space group symbol | C 1 c 1 |
| Hall space group symbol | C -2yc |
| Residual factor for all reflections | 0.1885 |
| Residual factor for significantly intense reflections | 0.1553 |
| Weighted residual factors for significantly intense reflections | 0.3446 |
| Weighted residual factors for all reflections included in the refinement | 0.3809 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.288 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1519450.cif |
| 143707 | 2015-07-11 | cif/ Updating files of 1519450, 1519451 Original log message: Adding full bibliography for 1519450--1519451.cif. |
1519450.cif |
| 135948 | 2015-05-09 | cif/ Adding structures of 1519450, 1519451 via cif-deposit CGI script. |
1519450.cif |
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