Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7214713
Preview
| Coordinates | 7214713.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | α-cyclodextrin hexahydrate |
|---|---|
| Chemical name | cyclohexaamylose hexahydrate, cyclomaltohexaose hexahydrate |
| Formula | C36 H72 O36 |
| Calculated formula | C36 H72 O36 |
| Title of publication | A novel hydrate of α-cyclodextrin crystallised under high-pressure conditions |
| Authors of publication | Granero-García, Rubén; Lahoz, Fernando J.; Paulmann, Carsten; Saouane, Sofiane; Fabbiani, Francesca P. A. |
| Journal of publication | CrystEngComm |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 24 |
| Pages of publication | 8664 |
| a | 14.8815 ± 0.0004 Å |
| b | 33.7011 ± 0.001 Å |
| c | 9.4872 ± 0.0002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4758 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0749 |
| Residual factor for significantly intense reflections | 0.0498 |
| Weighted residual factors for significantly intense reflections | 0.1101 |
| Weighted residual factors for all reflections included in the refinement | 0.1245 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180478 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/47. |
7214713.cif |
| 110952 | 2014-04-20 | cif/ Adding structures of 7214713, 7214714 via cif-deposit CGI script. |
7214713.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.