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Information card for entry 4031731
Preview
Coordinates | 4031731.cif |
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Original paper (by DOI) | HTML |
Formula | C56 H51 N3 O3 |
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Calculated formula | C56 H51 N3 O3 |
SMILES | O=C(NC12c3cc(c(cc3C(c3cc(c(cc13)C)C)c1ccccc21)C)C)c1nc(C(=O)NC23c4cc(C)c(cc4C(c4cc(c(cc24)C)C)c2c3cccc2)C)ccc1.OC |
Title of publication | 2,6-Pyridodicarboxamide-Bridged Triptycene Molecular Transmission Devices: Converting Rotation to Rocking Vibration. |
Authors of publication | Wang, Guangxia; Ma, Lishuang; Xiang, Junfeng; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2015 |
Journal volume | 80 |
Journal issue | 22 |
Pages of publication | 11302 - 11312 |
a | 16.874 ± 0.003 Å |
b | 11.312 ± 0.002 Å |
c | 23.571 ± 0.005 Å |
α | 90° |
β | 97.27 ± 0.03° |
γ | 90° |
Cell volume | 4463 ± 1.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100.15 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 | 0.1294 |
Residual factor for significantly intense reflections | 0.0946 |
Weighted residual factors for significantly intense reflections | 0.235 |
Weighted residual factors for all reflections included in the refinement | 0.2534 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.153 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4031731.html
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