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Information card for entry 4033044
Preview
Coordinates | 4033044.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C65 H41 N5 |
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Calculated formula | C65 H41 N5 |
SMILES | n1ccccc1c1nc(cc(c1)C12c3ccccc3C(c3ccccc13)c1c2cccc1)c1nc(ccc1)c1nc(cc(c1)C12c3ccccc3C(c3ccccc13)c1c2cccc1)c1ncccc1 |
Title of publication | Molecular Spur Gears Based on a Switchable Quinquepyridine Foldamer Acting as a Stator. |
Authors of publication | Huang, Fu; Wang, Guangxia; Ma, Lishuang; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2017 |
Journal volume | 82 |
Journal issue | 23 |
Pages of publication | 12106 - 12111 |
a | 18.263 ± 0.003 Å |
b | 18.263 ± 0.003 Å |
c | 61.044 ± 0.009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 20360 ± 6 Å3 |
Cell temperature | 173.15 K |
Ambient diffraction temperature | 173.15 K |
Number of distinct elements | 3 |
Space group number | 88 |
Hermann-Mauguin space group symbol | I 41/a |
Hall space group symbol | -I 4ad |
Residual factor for all reflections | 0.1372 |
Residual factor for significantly intense reflections | 0.1042 |
Weighted residual factors for significantly intense reflections | 0.2564 |
Weighted residual factors for all reflections included in the refinement | 0.2727 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.449 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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