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Information card for entry 4081195
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Coordinates | 4081195.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | {CY5[NP]DMP(PPh2)}(K)(THF) |
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Formula | C58 H66 K2 N2 O2 P2 |
Calculated formula | C58 H66 K2 N2 O2 P2 |
SMILES | [K]([N]1(C2=C(P(c3ccccc3)c3ccccc3)CCC2)c2c(cccc2C)C)([O]2CCCC2)[N]([K]1[O]1CCCC1)(C1=C(P(c2ccccc2)c2ccccc2)CCC1)c1c(cccc1C)C |
Title of publication | Use of the Imine‒Enamine Equilibrium in Cooperative Ligand Design |
Authors of publication | Wambach, Truman C.; Ahn, Jun Myun; Patrick, Brian O.; Fryzuk, Michael D. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 15 |
Pages of publication | 4431 |
a | 17.479 ± 0.005 Å |
b | 15.373 ± 0.005 Å |
c | 19.062 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5122 ± 3 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.049 |
Residual factor for significantly intense reflections | 0.041 |
Weighted residual factors for significantly intense reflections | 0.1005 |
Weighted residual factors for all reflections included in the refinement | 0.1072 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 0.71069 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/4081195.html
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