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Information card for entry 4121610
Preview
| Coordinates | 4121610.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C134 H146 Cl6 O6 |
|---|---|
| Calculated formula | C134 H146 Cl6 O6 |
| Title of publication | Facile Bottom-Up Synthesis of Coronene-based 3-Fold Symmetrical and Highly Substituted Nanographenes from Simple Aromatics. |
| Authors of publication | Zhang, Qiang; Peng, Hanqing; Zhang, Guishan; Lu, Qiongqiong; Chang, Jian; Dong, Yeye; Shi, Xianying; Wei, Junfa |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2014 |
| Journal volume | 136 |
| Journal issue | 13 |
| Pages of publication | 5057 - 5064 |
| a | 14.3699 ± 0.0002 Å |
| b | 18.8611 ± 0.0004 Å |
| c | 20.751 ± 0.0004 Å |
| α | 91.3836 ± 0.0017° |
| β | 93.8054 ± 0.0015° |
| γ | 100.752 ± 0.0016° |
| Cell volume | 5509.44 ± 0.18 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 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 | 0.1115 |
| Residual factor for significantly intense reflections | 0.0964 |
| Weighted residual factors for significantly intense reflections | 0.2761 |
| Weighted residual factors for all reflections included in the refinement | 0.2967 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.169 |
| Diffraction radiation wavelength | 1.5418 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. |
4121610.cif |
| 179018 | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/16. |
4121610.cif |
| 109095 | 2014-04-08 | cif/ Adding structures of 4121610 via cif-deposit CGI script. |
4121610.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.