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Information card for entry 7124740
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| Coordinates | 7124740.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | hexakis(carboxyphenyl)dodecadehydrotribenzo[18]annulene, fullerene, N,N-dimethylformamide, 1,2,4-trichlorobenzene solvate |
|---|---|
| Formula | C162 H66 Cl8 N2 O14 |
| Calculated formula | C162 H66 Cl8 N2 O14 |
| Title of publication | Alignment of paired molecules of C60 within a hexagonal platform networked through hydrogen-bonds. |
| Authors of publication | Hisaki, Ichiro; Nakagawa, Shoichi; Sato, Hiroyasu; Tohnai, Norimitsu |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 52 |
| Journal issue | 63 |
| Pages of publication | 9781 - 9784 |
| a | 16.2768 ± 0.0007 Å |
| b | 16.3003 ± 0.0007 Å |
| c | 23.6077 ± 0.0008 Å |
| α | 94.242 ± 0.003° |
| β | 95.588 ± 0.003° |
| γ | 115.579 ± 0.004° |
| Cell volume | 5575.6 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2061 |
| Residual factor for significantly intense reflections | 0.1414 |
| Weighted residual factors for significantly intense reflections | 0.3894 |
| Weighted residual factors for all reflections included in the refinement | 0.4453 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.513 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 234183 (current) | 2019-11-23 | cif/ Adding structures of 7124740, 7124741, 7124742 via cif-deposit CGI script. |
7124740.cif |
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Users of the data should acknowledge the original authors of the
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