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Information card for entry 2022712
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Coordinates | 2022712.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 5,11-Bis(4-<i>tert</i>-butylphenyl)-6,12-diphenylnaphthacene |
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Formula | C50 H44 |
Calculated formula | C50 H44 |
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 | 23.527 ± 0.003 Å |
b | 9.0277 ± 0.001 Å |
c | 17.764 ± 0.002 Å |
α | 90° |
β | 95.928 ± 0.004° |
γ | 90° |
Cell volume | 3752.8 ± 0.8 Å3 |
Cell temperature | 292 ± 1 K |
Ambient diffraction temperature | 292 ± 1 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 | 0.1913 |
Residual factor for significantly intense reflections | 0.0977 |
Weighted residual factors for significantly intense reflections | 0.1393 |
Weighted residual factors for all reflections included in the refinement | 0.169 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2022712.html
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