Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4131911
Preview
| Coordinates | 4131911.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C49 H63 F24 N10 O7 P4 S5 |
|---|---|
| Calculated formula | C49 H63 F24 N10 O7 P4 S5 |
| Title of publication | Supramolecular Properties of a Monocarboxylic Acid-Functionalized "Texas-Sized" Molecular Box. |
| Authors of publication | Wu, Ren-Tsung; Chi, Xiaodong; Hirao, Takehiro; Lynch, Vincent M.; Sessler, Jonathan L. |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2018 |
| Journal volume | 140 |
| Journal issue | 22 |
| Pages of publication | 6823 - 6831 |
| a | 14.493 ± 0.005 Å |
| b | 14.921 ± 0.005 Å |
| c | 17.665 ± 0.006 Å |
| α | 100.095 ± 0.006° |
| β | 107.797 ± 0.008° |
| γ | 98.626 ± 0.007° |
| Cell volume | 3495 ± 2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2665 |
| Residual factor for significantly intense reflections | 0.1189 |
| Weighted residual factors for significantly intense reflections | 0.2539 |
| Weighted residual factors for all reflections included in the refinement | 0.3167 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 242003 (current) | 2019-11-25 | cif/ Adding structures of 4131911 via cif-deposit CGI script. |
4131911.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.