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Information card for entry 4021432
Preview
Coordinates | 4021432.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C70 H121 Cl12 N13 O14 P4 |
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Calculated formula | C70 H121 Cl12 N13 O14 P4 |
SMILES | P1(N(P(N1C(C)(C)C)(=[NH+]C(C)(C)C)N(NC(=O)OC(C)C)C(=O)OC(C)C)C(C)(C)C)NC(C)(C)C.Clc1c([O-])c(O)c(Cl)c(Cl)c1Cl.P1(N(P(N1C(C)(C)C)(=[NH+]C(C)(C)C)N(NC(=O)OC(C)C)C(=O)OC(C)C)C(C)(C)C)NC(C)(C)C.Clc1c([O-])c(O)c(Cl)c(Cl)c1Cl.Clc1c([O-])c(O)c(Cl)c(Cl)c1Cl.[NH3+]C(C)(C)C |
Title of publication | Further Characterization of Mitsunobu-Type Intermediates in the Reaction of Dialkyl Azodicarboxylates with P(III) Compounds |
Authors of publication | K. C. Kumara Swamy; K. Praveen Kumar; N. N. Bhuvan Kumar |
Journal of publication | Journal of Organic Chemistry |
Year of publication | 2006 |
Journal volume | 71 |
Pages of publication | 1002 - 1008 |
a | 13.334 ± 0.007 Å |
b | 16.27 ± 0.008 Å |
c | 26.055 ± 0.013 Å |
α | 99.242 ± 0.009° |
β | 99.572 ± 0.009° |
γ | 99.647 ± 0.009° |
Cell volume | 5391 ± 5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2299 |
Residual factor for significantly intense reflections | 0.0926 |
Weighted residual factors for significantly intense reflections | 0.2381 |
Weighted residual factors for all reflections included in the refinement | 0.2981 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.913 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/4021432.html
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