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Information card for entry 4111848
Preview
| Coordinates | 4111848.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C33 H26 N2 O2 |
|---|---|
| Calculated formula | C33 H26 N2 O2 |
| SMILES | c1cc2c(cc1)c(c1c(cccc1)n2)c1ccc(cc1)N(c1ccc(cc1)OC)c1ccc(cc1)OC |
| Title of publication | Photoinduced Charge Transfer Processes along Triarylamine Redox Cascades |
| Authors of publication | Christoph Lambert; Jürgen Schelter; Torsten Fiebig; Daniela Mank; Anton Trifonov |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2005 |
| Journal volume | 127 |
| Pages of publication | 10600 - 10610 |
| a | 8.3516 ± 0.0019 Å |
| b | 30.307 ± 0.007 Å |
| c | 9.825 ± 0.002 Å |
| α | 90° |
| β | 92.697 ± 0.004° |
| γ | 90° |
| Cell volume | 2484.1 ± 1 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0399 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for significantly intense reflections | 0.0961 |
| Weighted residual factors for all reflections included in the refinement | 0.0984 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4111848.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4111848.cif |
| 178889 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/18. |
4111848.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4111848.cif |
| 63460 | 2012-08-01 | cif/ Adding structures of 4111848 via cif-deposit CGI script. |
4111848.cif |
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Users of the data should acknowledge the original authors of the
structural data.