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Information card for entry 4109038
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Coordinates | 4109038.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H52 O6 |
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Calculated formula | C60 H52 O6 |
Title of publication | Rotational Dynamics in a Crystalline Molecular Gyroscope by Variable-Temperature 13C NMR,2H NMR, X-Ray Diffraction, and Force Field Calculations |
Authors of publication | Tinh-Alfredo V. Khuong; Hung Dang; Peter D. Jarowski; Emily F. Maverick; Miguel A. Garcia-Garibay |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2007 |
Journal volume | 129 |
Pages of publication | 839 - 845 |
a | 7.116 ± 0.004 Å |
b | 10.145 ± 0.005 Å |
c | 17.823 ± 0.009 Å |
α | 77.253 ± 0.009° |
β | 80.996 ± 0.008° |
γ | 73.084 ± 0.008° |
Cell volume | 1194.8 ± 1.1 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 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 | 0.1684 |
Residual factor for significantly intense reflections | 0.0649 |
Weighted residual factors for significantly intense reflections | 0.1335 |
Weighted residual factors for all reflections included in the refinement | 0.1668 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.865 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Suboptimal structure of | 4109002 |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4109038.html
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Users of the data should acknowledge the original authors of the
structural data.