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Information card for entry 1506027
Preview
Coordinates | 1506027.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H33 Cl3 |
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Calculated formula | C50 H33 Cl3 |
SMILES | c12ccccc1C1c3ccccc3C2(c2c1cccc2)C#Cc1ccc(cc1)C#CC(c1ccccc1)(c1ccccc1)c1ccccc1.ClC(Cl)Cl |
Title of publication | Improved physical properties and rotational dynamics in a molecular gyroscope with an asymmetric stator structure. |
Authors of publication | Karlen, Steven D.; Godinez, Carlos E.; Garcia-Garibay, Miguel A |
Journal of publication | Organic letters |
Year of publication | 2006 |
Journal volume | 8 |
Journal issue | 16 |
Pages of publication | 3417 - 3420 |
a | 8.046 ± 0.0014 Å |
b | 14.953 ± 0.003 Å |
c | 16.805 ± 0.003 Å |
α | 80.884 ± 0.008° |
β | 76.657 ± 0.008° |
γ | 75.271 ± 0.008° |
Cell volume | 1891.9 ± 0.6 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1106 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for significantly intense reflections | 0.1088 |
Weighted residual factors for all reflections included in the refinement | 0.1291 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
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/1506027.html
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Users of the data should acknowledge the original authors of the
structural data.