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Information card for entry 7031762
Preview
Coordinates | 7031762.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C52 H46 N3 O20 P3 |
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Calculated formula | C52 H46 N3 O20 P3 |
SMILES | N1=P(N=P(N=P1(Oc1cc(cc(c1)C(=O)OC)C(=O)OC)Oc1cc(cc(c1)C(=O)OC)C(=O)OC)(Oc1cc(cc(c1)C(=O)OC)C(=O)OC)Oc1cc(cc(c1)C(=O)OC)C(=O)OC)(c1ccccc1)c1ccccc1 |
Title of publication | Chiral multidentate oxazoline ligands based on cyclophosphazene cores: synthesis, characterization and complexation studies. |
Authors of publication | Kumar, Dheeraj; Singh, Jatinder; Elias, Anil J. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 37 |
Pages of publication | 13899 - 13912 |
a | 10.492 ± 0.002 Å |
b | 15.574 ± 0.003 Å |
c | 18.232 ± 0.004 Å |
α | 101.573 ± 0.004° |
β | 106.716 ± 0.004° |
γ | 101.032 ± 0.004° |
Cell volume | 2695 ± 0.9 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0865 |
Residual factor for significantly intense reflections | 0.0548 |
Weighted residual factors for significantly intense reflections | 0.1272 |
Weighted residual factors for all reflections included in the refinement | 0.1402 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
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/7031762.html
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