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Information card for entry 4114499
Preview
| Coordinates | 4114499.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C41 H32 |
|---|---|
| Calculated formula | C41 H32 |
| Title of publication | Synthesis, Structure, and Photophysical and Electrochemical Properties of a π-Stacked Polymer |
| Authors of publication | Tamaki Nakano; Tohru Yade |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 15474 - 15484 |
| a | 16.6849 ± 0.0005 Å |
| b | 12.2332 ± 0.0005 Å |
| c | 15.4247 ± 0.0005 Å |
| α | 90° |
| β | 110.519 ± 0.0008° |
| γ | 90° |
| Cell volume | 2948.6 ± 0.18 Å3 |
| Cell temperature | 296.2 K |
| Number of distinct elements | 2 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.0576 |
| Weighted residual factors for all reflections included in the refinement | 0.14 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.231 |
| Diffraction radiation wavelength | 0.7107 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. |
4114499.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4114499.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114499.cif |
| 67826 | 2012-10-05 | cif/ Adding structures of 4114499 via cif-deposit CGI script. |
4114499.cif |
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Users of the data should acknowledge the original authors of the
structural data.