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Information card for entry 1543746
Preview
| Coordinates | 1543746.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C35 H40 B2 O4 |
|---|---|
| Calculated formula | C35 H40 B2 O4 |
| Title of publication | Probing the nature of peripheral boryl groups within luminescent tellurophenes. |
| Authors of publication | Braun, Christina A.; Zomerman, Derek; de Aguiar, Inara; Qi, Yanyu; Delgado, William Torres; Ferguson, Michael J.; McDonald, Robert; de Souza, Gabriel L. C.; He, Gang; Brown, Alex; Rivard, Eric |
| Journal of publication | Faraday discussions |
| Year of publication | 2017 |
| Journal volume | 196 |
| Pages of publication | 255 - 268 |
| a | 6.3523 ± 0.0002 Å |
| b | 8.0207 ± 0.0002 Å |
| c | 16.3894 ± 0.0004 Å |
| α | 92.3795 ± 0.0018° |
| β | 95.9413 ± 0.0018° |
| γ | 110.114 ± 0.0017° |
| Cell volume | 777.24 ± 0.04 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.074 |
| Residual factor for significantly intense reflections | 0.0605 |
| Weighted residual factors for significantly intense reflections | 0.1701 |
| Weighted residual factors for all reflections included in the refinement | 0.1826 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1543746.cif |
| 193858 | 2017-03-05 | cif/ Updating files of 1543746, 1543747, 1543748 Original log message: Adding full bibliography for 1543746--1543748.cif. |
1543746.cif |
| 184716 | 2016-07-29 | cif/ Adding structures of 1543746, 1543747, 1543748 via cif-deposit CGI script. |
1543746.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.