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Information card for entry 4104068
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4104068.cif |
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Original paper (by DOI) | HTML |
Chemical name | tris[2'-(1-adamantylcarbonyl)oxy-1,1'-biphenyl-2-yl]phosphite oxide tris-dichloromethane solute |
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Formula | C72 H75 Cl6 O10 P |
Calculated formula | C72 H75 Cl6 O10 P |
SMILES | c1(c(cccc1)OP(=O)(Oc1c(cccc1)c1c(cccc1)OC(=O)C12CC3CC(C1)CC(C2)C3)Oc1c(cccc1)c1c(cccc1)OC(=O)C12CC3CC(C1)CC(C2)C3)c1c(cccc1)OC(=O)C12CC3CC(C1)CC(C2)C3.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl |
Title of publication | Helical Triskelion Monophosphites as Ligands in Asymmetric Catalysis |
Authors of publication | Manfred T. Reetz; Hongchao Guo; Jun-An Ma; Richard Goddard; Richard J. Mynott |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2009 |
Journal volume | 131 |
Pages of publication | 4136 - 4142 |
a | 13.262 ± 0.0007 Å |
b | 13.9991 ± 0.0006 Å |
c | 18.9895 ± 0.0008 Å |
α | 100.216 ± 0.002° |
β | 102.279 ± 0.002° |
γ | 102.329 ± 0.002° |
Cell volume | 3272.5 ± 0.3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1906 |
Residual factor for significantly intense reflections | 0.0973 |
Weighted residual factors for significantly intense reflections | 0.2505 |
Weighted residual factors for all reflections included in the refinement | 0.3124 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
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/4104068.html
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Users of the data should acknowledge the original authors of the
structural data.