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Information card for entry 7115858
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Coordinates | 7115858.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (+)-(2R,3R)-tetraphenylbutane-1,2,3,4-tetraol /2-methylcyclohexanone (1:1) |
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Formula | C35 H38 O5 |
Calculated formula | C35 H38 O5 |
Title of publication | Clathrates of TETROL: selective inclusion of methylcyclohexanones in their energetically unfavorable axial methyl conformations |
Authors of publication | B. Barton; M. R. Caira; E. C. Hosten; C. W. McCleland; S. Weitz |
Journal of publication | Chem.Commun. |
Year of publication | 2014 |
Journal volume | 50 |
Pages of publication | 13353 |
a | 10.3843 ± 0.0003 Å |
b | 15.2193 ± 0.0003 Å |
c | 18.2734 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2887.96 ± 0.12 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 3 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.04 |
Residual factor for significantly intense reflections | 0.0335 |
Weighted residual factors for significantly intense reflections | 0.082 |
Weighted residual factors for all reflections included in the refinement | 0.0862 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7115858.html
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