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Information card for entry 1542927
Preview
Coordinates | 1542927.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H56 N4 O2 |
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Calculated formula | C38 H56 N4 O2 |
SMILES | O=C(Nc1cc(c2C[C@@H](C(c2c1C)=C1[C@H](Cc2c(cc(NC(=O)NCCCCCC)c(c12)C)C)C)C)C)NCCCCCC.O=C(Nc1cc(c2C[C@H](C(c2c1C)=C1[C@@H](Cc2c(cc(NC(=O)NCCCCCC)c(c12)C)C)C)C)C)NCCCCCC |
Title of publication | Reversible gel‒sol photoswitching with an overcrowded alkene-based bis-urea supergelator |
Authors of publication | Wezenberg, Sander J.; Croisetu, Christelle M.; Stuart, Marc C. A.; Feringa, Ben L. |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 7 |
Pages of publication | 4341 |
a | 18.6106 ± 0.0006 Å |
b | 9.3237 ± 0.0003 Å |
c | 20.2857 ± 0.0006 Å |
α | 90° |
β | 98.941 ± 0.001° |
γ | 90° |
Cell volume | 3477.2 ± 0.19 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0755 |
Residual factor for significantly intense reflections | 0.0548 |
Weighted residual factors for significantly intense reflections | 0.1405 |
Weighted residual factors for all reflections included in the refinement | 0.1566 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/1542927.html
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