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Information card for entry 4003593
Preview
| Coordinates | 4003593.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H28 F8 N2 O4 |
|---|---|
| Calculated formula | C42 H28 F8 N2 O4 |
| Title of publication | Side Chain Regioisomers that Dictate Optical Properties and Mechanofluorochromism through Crystal Packing |
| Authors of publication | Sharber, Seth A.; Thomas, Samuel W. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2020 |
| a | 4.4959 ± 0.0003 Å |
| b | 13.0881 ± 0.0009 Å |
| c | 15.9017 ± 0.0011 Å |
| α | 66.725 ± 0.001° |
| β | 82.591 ± 0.002° |
| γ | 82.531 ± 0.001° |
| Cell volume | 849.16 ± 0.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0614 |
| Residual factor for significantly intense reflections | 0.0438 |
| Weighted residual factors for significantly intense reflections | 0.1129 |
| Weighted residual factors for all reflections included in the refinement | 0.1234 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253404 (current) | 2020-06-25 | cif/ Adding structures of 4003593 via cif-deposit CGI script. |
4003593.cif |
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