Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4034755
Preview
Coordinates | 4034755.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H40 O13 |
---|---|
Calculated formula | C34 H40 O13 |
Title of publication | Triptycene 1,2-Quinones and Quinols: Permeable Crystalline Redox-Active Molecular Solids. |
Authors of publication | Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2018 |
Journal volume | 83 |
Journal issue | 24 |
Pages of publication | 15426 - 15437 |
a | 24.0009 ± 0.0011 Å |
b | 8.5212 ± 0.0004 Å |
c | 31.56 ± 0.002 Å |
α | 90° |
β | 93.151 ± 0.002° |
γ | 90° |
Cell volume | 6444.8 ± 0.6 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 3 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.1295 |
Residual factor for significantly intense reflections | 0.0811 |
Weighted residual factors for significantly intense reflections | 0.2113 |
Weighted residual factors for all reflections included in the refinement | 0.2532 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.34139 Å |
Diffraction radiation type | GaKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
226278 (current) | 2019-11-11 | cif/ Adding structures of 4034755 via cif-deposit CGI script. |
4034755.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.