Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4038627
Preview
Coordinates | 4038627.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H22 |
---|---|
Calculated formula | C32 H22 |
Title of publication | Correlation of Structure with Crystalline to Amorphous Phase Transitions of 1,3,6-Substituted Fulvene Derived Molecular Glasses. |
Authors of publication | Brown, Loren C.; Peloquin, Andrew; Godman, Nicholas P.; Balaich, Gary James; Iacono, Scott T. |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2020 |
a | 9.4761 ± 0.0001 Å |
b | 9.698 ± 0.0001 Å |
c | 23.3128 ± 0.0003 Å |
α | 90° |
β | 97.566 ± 0.001° |
γ | 90° |
Cell volume | 2123.78 ± 0.04 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 2 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0348 |
Residual factor for significantly intense reflections | 0.034 |
Weighted residual factors for significantly intense reflections | 0.0826 |
Weighted residual factors for all reflections included in the refinement | 0.0833 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
254662 (current) | 2020-07-30 | cif/ Adding structures of 4038627 via cif-deposit CGI script. |
4038627.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.