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Information card for entry 4123602
Preview
| Coordinates | 4123602.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C88 H62 |
|---|---|
| Calculated formula | C88 H62 |
| Title of publication | Toward cove-edged low band gap graphene nanoribbons. |
| Authors of publication | Liu, Junzhi; Li, Bo-Wei; Tan, Yuan-Zhi; Giannakopoulos, Angelos; Sanchez-Sanchez, Carlos; Beljonne, David; Ruffieux, Pascal; Fasel, Roman; Feng, Xinliang; Müllen, Klaus |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 18 |
| Pages of publication | 6097 - 6103 |
| a | 18.8791 ± 0.0008 Å |
| b | 21.8851 ± 0.001 Å |
| c | 36.4305 ± 0.0015 Å |
| α | 90° |
| β | 100.405 ± 0.004° |
| γ | 90° |
| Cell volume | 14804.5 ± 1.1 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 2 |
| 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 | 0.0989 |
| Residual factor for significantly intense reflections | 0.0743 |
| Weighted residual factors for significantly intense reflections | 0.208 |
| Weighted residual factors for all reflections included in the refinement | 0.2355 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.999 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4123602.cif |
| 138206 | 2015-06-05 | cif/ Updating files of 4123602 Original log message: Adding full bibliography for 4123602.cif. |
4123602.cif |
| 136299 | 2015-05-13 | cif/ Adding structures of 4123602 via cif-deposit CGI script. |
4123602.cif |
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Users of the data should acknowledge the original authors of the
structural data.