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Information card for entry 7125559
Preview
| Coordinates | 7125559.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | delta-cyclodextrin |
|---|---|
| Chemical name | cyclomaltononaose cycloundecanone |
| Formula | C301 H618.8 O237.4 |
| Calculated formula | C304 H252 O237.4 |
| Title of publication | X-ray structure of the delta-cyclodextrin complex with cycloundecanone. |
| Authors of publication | Harata, Kazuaki; Akasaka, Hiroaki; Endo, Tomohiro; Nagase, Hiromasa; Ueda, Haruhisa |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2002 |
| Journal issue | 17 |
| Pages of publication | 1968 - 1969 |
| a | 32.537 ± 0.004 Å |
| b | 19.013 ± 0.002 Å |
| c | 33.136 ± 0.006 Å |
| α | 90° |
| β | 98.428 ± 0.007° |
| γ | 90° |
| Cell volume | 20277 ± 5 Å3 |
| Cell temperature | 290 K |
| Ambient diffraction temperature | 290 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0818 |
| Residual factor for significantly intense reflections | 0.0788 |
| Weighted residual factors for significantly intense reflections | 0.2194 |
| Weighted residual factors for all reflections included in the refinement | 0.2236 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 244037 (current) | 2019-11-28 | cif/ Adding structures of 7125559 via cif-deposit CGI script. |
7125559.cif |
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Users of the data should acknowledge the original authors of the
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