Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7228520
Preview
| Coordinates | 7228520.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | 9,9'-(ethyne-1,2-diyl)-bis(fluoren-9-ol) bis (3-pentanol) Clathrate |
|---|---|
| Formula | C114 H125 O12 |
| Calculated formula | C114 H125 O12 |
| Title of publication | Selectivity of Aliphatic Alcohols by Host-Guest Chemistry |
| Authors of publication | Sykes, Nicole Margaret; Su, Hong; Weber, Edwin; Bourne, Susan A.; Nassimbeni, Luigi |
| Journal of publication | CrystEngComm |
| Year of publication | 2017 |
| a | 9.6915 ± 0.0019 Å |
| b | 15.38 ± 0.003 Å |
| c | 16.438 ± 0.003 Å |
| α | 91.21 ± 0.03° |
| β | 98.29 ± 0.03° |
| γ | 91.87 ± 0.03° |
| Cell volume | 2422.5 ± 0.8 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0694 |
| Residual factor for significantly intense reflections | 0.0455 |
| Weighted residual factors for significantly intense reflections | 0.107 |
| Weighted residual factors for all reflections included in the refinement | 0.1201 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197955 (current) | 2017-06-20 | cif/ Adding structures of 7228518, 7228519, 7228520, 7228521, 7228522, 7228523 via cif-deposit CGI script. |
7228520.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.