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Information card for entry 4038931
Preview
Coordinates | 4038931.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C49 H38 N2 O5 S3 |
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Calculated formula | C49 H38 N2 O5 S3 |
Title of publication | Cyclophane Molecules Exhibiting Thermally Activated Delayed Fluorescence: Linking Donor Units to Influence Molecular Conformation |
Authors of publication | Hempe, Matthias; Harrison, Alastair K.; Ward, Jonathan S.; Batsanov, Andrei S.; Fox, Mark A.; Dias, Fernando B.; Bryce, Martin R. |
Journal of publication | The Journal of Organic Chemistry |
Year of publication | 2020 |
a | 23.974 ± 0.002 Å |
b | 7.3487 ± 0.0007 Å |
c | 22.763 ± 0.002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4010.3 ± 0.6 Å3 |
Cell temperature | 120 K |
Ambient diffraction temperature | 120 K |
Number of distinct elements | 5 |
Space group number | 26 |
Hermann-Mauguin space group symbol | P m c 21 |
Hall space group symbol | P 2c -2 |
Residual factor for all reflections | 0.1254 |
Residual factor for significantly intense reflections | 0.1015 |
Weighted residual factors for significantly intense reflections | 0.2622 |
Weighted residual factors for all reflections included in the refinement | 0.2804 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4038931.html
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structural data.