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Information card for entry 7124742
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| Coordinates | 7124742.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | hexakis(carboxyphenyl)dodecadehydrotribenzo[18]annulene 1,2-dichlorobenzene N,N-dimethylformamide solvate |
|---|---|
| Formula | C93 H55 Cl6 N O13 |
| Calculated formula | C93 H55 Cl6 N O13 |
| 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 | 12.0893 ± 0.0003 Å |
| b | 17.1939 ± 0.0004 Å |
| c | 24.6711 ± 0.0006 Å |
| α | 104.88 ± 0.002° |
| β | 90.051 ± 0.0019° |
| γ | 98.347 ± 0.0019° |
| Cell volume | 4899.8 ± 0.2 Å3 |
| Cell temperature | 213 K |
| Ambient diffraction temperature | 213 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 | 0.1353 |
| Residual factor for significantly intense reflections | 0.1254 |
| Weighted residual factors for significantly intense reflections | 0.3936 |
| Weighted residual factors for all reflections included in the refinement | 0.4149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.892 |
| Diffraction radiation wavelength | 0.8 Å |
| Diffraction radiation type | synchrotron |
| 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. |
7124742.cif |
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Users of the data should acknowledge the original authors of the
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