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Information card for entry 4324120
Preview
| Coordinates | 4324120.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C20 H22 N3 O4 P3 |
|---|---|
| Calculated formula | C20 H22 N3 O4 P3 |
| SMILES | P1(=NP2(OCC=CCO2)=NP2(OCC=CCO2)=N1)(c1ccccc1)c1ccccc1 |
| Title of publication | Ring-Closing Metathesis Reactions of Terminal Alkene-Derived Cyclic Phosphazenes |
| Authors of publication | Dheeraj Kumar; Nem Singh; Karunesh Keshav; Anil J. Elias |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 250 - 260 |
| a | 9.5643 ± 0.0008 Å |
| b | 10.4134 ± 0.0009 Å |
| c | 12.0149 ± 0.0011 Å |
| α | 64.642 ± 0.001° |
| β | 84.264 ± 0.001° |
| γ | 78.195 ± 0.001° |
| Cell volume | 1058.38 ± 0.16 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0524 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1126 |
| Weighted residual factors for all reflections included in the refinement | 0.1139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.238 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4324120.cif |
| 201982 | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4324120.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4324120.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324120.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4324120.cif |
| 24411 | 2011-08-23 | ../uploads/cif-deposit/cod/cif Adding structures of 4324120 via cif-deposit CGI script. |
4324120.cif |
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Users of the data should acknowledge the original authors of the
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