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Information card for entry 4038625
Preview
| Coordinates | 4038625.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C21 H20 |
|---|---|
| Calculated formula | C21 H20 |
| 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 | 11.0596 ± 0.0002 Å |
| b | 8.4681 ± 0.0001 Å |
| c | 33.2511 ± 0.0005 Å |
| α | 90° |
| β | 99.015 ± 0.001° |
| γ | 90° |
| Cell volume | 3075.62 ± 0.08 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 | 0.0405 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0925 |
| Weighted residual factors for all reflections included in the refinement | 0.0938 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 254660 (current) | 2020-07-30 | cif/ Adding structures of 4038625 via cif-deposit CGI script. |
4038625.cif |
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