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Information card for entry 7200209
Preview
| Coordinates | 7200209.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | bis(3-(hydroxy(diphenyl)methyl)benzenesulfonamide) 1,4,7,10,13,16-hexaoxacyclooctadecane clathrate |
|---|---|
| Chemical name | bis{3-[hydroxy(diphenyl)methyl]benzenesulfonamide} 1,4,7,10,13,16-hexaoxacyclooctadecane clathrate |
| Formula | C50 H58 N2 O12 S2 |
| Calculated formula | C50 H58 N2 O12 S2 |
| Title of publication | Inclusion of triphenylmethane derivatives by crown and linear O-containing molecules : selective interactions and crystal structures |
| Authors of publication | Fonari, Marina S.; Simonov, Yurii A.; Wang, Wen-Jwu; Tang, Shang-Wei; Ganin, Eduard V. |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 1 |
| Pages of publication | 94 |
| a | 8.4707 ± 0.0006 Å |
| b | 12.4699 ± 0.0009 Å |
| c | 12.86 ± 0.0009 Å |
| α | 115.372 ± 0.001° |
| β | 97.929 ± 0.001° |
| γ | 99.54 ± 0.001° |
| Cell volume | 1176.63 ± 0.15 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0548 |
| Residual factor for significantly intense reflections | 0.0393 |
| Weighted residual factors for significantly intense reflections | 0.0963 |
| Weighted residual factors for all reflections included in the refinement | 0.1025 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.925 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
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The link is: https://www.crystallography.net/7200209.html
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Users of the data should acknowledge the original authors of the
structural data.