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Information card for entry 4117145
Preview
Coordinates | 4117145.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H28 Cl2 N3 O7 P3 |
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Calculated formula | C28 H28 Cl2 N3 O7 P3 |
SMILES | P1(=NP23Oc4c(c5c(OP(OCCOCCOCCOCCO2)(=N1)N=3)ccc1ccccc51)c1c(cccc1)cc4)(Cl)Cl |
Title of publication | Regioselective Sodium Cation-Assisted Synthesis of the First Bis-Transannular Cyclotriphosphazatriene Derivatives of a Chiral Ligand Type |
Authors of publication | Krystyna Brandt; Iwona Porwolik; Anna Olejnik; Robert A. Shaw; David B. Davies; Michael B. Hursthouse; Georgia D. Sykara |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1996 |
Journal volume | 118 |
Pages of publication | 4496 - 4497 |
a | 8.255 ± 0.001 Å |
b | 12.338 ± 0.003 Å |
c | 16.482 ± 0.002 Å |
α | 76.592 ± 0.013° |
β | 87.44 ± 0.03° |
γ | 71.871 ± 0.012° |
Cell volume | 1551.2 ± 0.5 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 | 0.0752 |
Residual factor for significantly intense reflections | 0.0477 |
Weighted residual factors for all reflections | 0.1136 |
Weighted residual factors for significantly intense reflections | 0.1091 |
Goodness-of-fit parameter for all reflections | 0.841 |
Goodness-of-fit parameter for significantly intense reflections | 1.048 |
Diffraction radiation wavelength | 0.71069 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/4117145.html
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Users of the data should acknowledge the original authors of the
structural data.