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Information card for entry 7215081
Preview
Coordinates | 7215081.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C25 H56 Cl6 N8 O5 P4 Pd2 S2 |
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Calculated formula | C25 H56 Cl6 N8 O5 P4 Pd2 S2 |
SMILES | C1[N]23CN4CP1(CN(C4)C2)=NP(OCC)(OCC)=[S][Pd]([N]12CP4(CN(CN(C4)C2)C1)=NP(OCC)(OCC)=[S][Pd]3(Cl)Cl)(Cl)Cl.C(Cl)Cl.C(C)OCC |
Title of publication | Pd(ii)-catalyzed cycloisomerisation of γ-alkynoic acids and one-pot tandem cycloisomerisation/CuAAC reactions in water |
Authors of publication | García-Álvarez, Joaquín; Díez, Josefina; Vidal, Cristian |
Journal of publication | Green Chemistry |
Year of publication | 2012 |
Journal volume | 14 |
Journal issue | 11 |
Pages of publication | 3190 |
a | 12.8415 ± 0.0005 Å |
b | 13.0797 ± 0.0005 Å |
c | 28.1381 ± 0.0012 Å |
α | 90° |
β | 109.006 ± 0.001° |
γ | 90° |
Cell volume | 4468.5 ± 0.3 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 8 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0826 |
Residual factor for significantly intense reflections | 0.0459 |
Weighted residual factors for significantly intense reflections | 0.129 |
Weighted residual factors for all reflections included in the refinement | 0.158 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.946 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7215081.html
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