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Information card for entry 2022711
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Coordinates | 2022711.cif |
---|---|
Original IUCr paper | HTML |
Formula | C44 H26 F6 |
---|---|
Calculated formula | C44 H26 F6 |
Title of publication | Two new cases of polymorphism in diagonally substituted rubrene derivatives. |
Authors of publication | Clapham, Margaret L.; Douglas, Christopher J. |
Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
Year of publication | 2023 |
Journal volume | 79 |
Journal issue | Pt 4 |
Pages of publication | 406 - 409 |
a | 15.9782 ± 0.0006 Å |
b | 7.2762 ± 0.0002 Å |
c | 13.9814 ± 0.0006 Å |
α | 90° |
β | 102.701 ± 0.002° |
γ | 90° |
Cell volume | 1585.71 ± 0.1 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0763 |
Residual factor for significantly intense reflections | 0.0659 |
Weighted residual factors for significantly intense reflections | 0.1299 |
Weighted residual factors for all reflections included in the refinement | 0.1354 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
283577 (current) | 2023-05-06 | cif/ Updating files of 2022709, 2022710, 2022711, 2022712 Original log message: Adding full bibliography for 2022709--2022712.cif. |
2022711.cif |
282399 | 2023-04-05 | cif/ hkl/ Adding structures of 2022709, 2022710, 2022711, 2022712 via cif-deposit CGI script. |
2022711.cif |
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Users of the data should acknowledge the original authors of the
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