Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4118558
Preview
Coordinates | 4118558.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C82 H76 B4 Cl12 O12 |
---|---|
Calculated formula | C82 H76 B4 Cl12 O12 |
Title of publication | Controlled Self-Assembly of Multiple Diastereomeric Macrocyclic Boronic Esters Composed of Two Chiral Units |
Authors of publication | Suguru Ito; Kosuke Ono; Nobuharu Iwasawa |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2012 |
Journal volume | 134 |
Pages of publication | 13962 - 13965 |
a | 11.5412 ± 0.0002 Å |
b | 12.9559 ± 0.0002 Å |
c | 14.5534 ± 0.0003 Å |
α | 79.051 ± 0.001° |
β | 87.26 ± 0.001° |
γ | 83.109 ± 0.001° |
Cell volume | 2120.38 ± 0.07 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 1 |
Hermann-Mauguin space group symbol | P 1 |
Hall space group symbol | P 1 |
Residual factor for all reflections | 0.1265 |
Residual factor for significantly intense reflections | 0.1075 |
Weighted residual factors for significantly intense reflections | 0.3012 |
Weighted residual factors for all reflections included in the refinement | 0.3359 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54186 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4118558.html
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.