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Information card for entry 7241444
Preview
| Coordinates | 7241444.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C31.5 H49 N5 O9 S |
|---|---|
| Calculated formula | C31.5 H49 N5 O9 S |
| Title of publication | Homochiral and heterochiral associations observed in crystals of ArSO2-(Aib)5-OMe |
| Authors of publication | Hikawa, Hidemasa; Takahashi, Ayaka; Kikkawa, Shoko; Suzuki, Ayaka; Takahashi, Yoshiki; Sato, Naruka; Okayasu, Misaki; Azumaya, Isao |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 8.2771 ± 0.0001 Å |
| b | 11.408 ± 0.0003 Å |
| c | 19.4068 ± 0.0004 Å |
| α | 89.945 ± 0.002° |
| β | 79.642 ± 0.001° |
| γ | 88.733 ± 0.002° |
| Cell volume | 1802.18 ± 0.06 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 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 | 0.0505 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1282 |
| Weighted residual factors for all reflections included in the refinement | 0.135 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 259282 (current) | 2020-11-29 | cif/ Adding structures of 7241442, 7241443, 7241444, 7241445, 7241446 via cif-deposit CGI script. |
7241444.cif |
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Users of the data should acknowledge the original authors of the
structural data.