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Information card for entry 7115859
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Coordinates | 7115859.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (+)-(2R,3R)-tetraphenylbutane-1,2,3,4-tetraol/3-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 | 12.4493 ± 0.0006 Å |
b | 8.2368 ± 0.0004 Å |
c | 13.9466 ± 0.0007 Å |
α | 90° |
β | 95.843 ± 0.002° |
γ | 90° |
Cell volume | 1422.69 ± 0.12 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 3 |
Space group number | 4 |
Hermann-Mauguin space group symbol | P 1 21 1 |
Hall space group symbol | P 2yb |
Residual factor for all reflections | 0.0532 |
Residual factor for significantly intense reflections | 0.0459 |
Weighted residual factors for significantly intense reflections | 0.1269 |
Weighted residual factors for all reflections included in the refinement | 0.1356 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/7115859.html
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