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Information card for entry 1544660
Preview
Coordinates | 1544660.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H43 Cl11 N O P Pd |
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Calculated formula | C45 H43 Cl11 N O P Pd |
SMILES | [Pd]1(Cl)(Cl)[P](c2c3[C@]4(c5c(C6OC[C@@H]([N]1=6)c1ccccc1)cccc5CC4)CCc3ccc2)(c1cc(cc(c1)C)C)c1cc(cc(c1)C)C.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl |
Title of publication | Enantioselective Narasaka-Heck cyclizations: synthesis of tetrasubstituted nitrogen-bearing stereocenters. |
Authors of publication | Race, Nicholas J.; Faulkner, Adele; Fumagalli, Gabriele; Yamauchi, Takayuki; Scott, James S.; Rydén-Landergren, Marie; Sparkes, Hazel A.; Bower, John F. |
Journal of publication | Chemical science |
Year of publication | 2017 |
Journal volume | 8 |
Journal issue | 3 |
Pages of publication | 1981 - 1985 |
a | 13.7983 ± 0.0008 Å |
b | 18.7174 ± 0.0011 Å |
c | 19.3028 ± 0.0011 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4985.3 ± 0.5 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0419 |
Residual factor for significantly intense reflections | 0.0328 |
Weighted residual factors for significantly intense reflections | 0.0636 |
Weighted residual factors for all reflections included in the refinement | 0.0666 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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