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Information card for entry 4339882
Preview
| Coordinates | 4339882.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H81 I N9 O2 P3 |
|---|---|
| Calculated formula | C38 H81 I N9 O2 P3 |
| SMILES | [I-].[P+]1(N(P(=NP(=N1)(NC1CCCCC1)NC1CCCCC1)(NC1CCCCC1)NC1CCCCC1)C)(NC1CCCCC1)NC1CCCCC1.OC.O |
| Title of publication | Alkylation and acylation of cyclotriphosphazenes. |
| Authors of publication | Benson, Mark A.; Zacchini, Stefano; Boomishankar, Ramamoorthy; Chan, Yuri; Steiner, Alexander |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Journal issue | 17 |
| Pages of publication | 7097 - 7108 |
| a | 29.3736 ± 0.0016 Å |
| b | 11.0372 ± 0.0006 Å |
| c | 31.7895 ± 0.0018 Å |
| α | 90° |
| β | 115.646 ± 0.001° |
| γ | 90° |
| Cell volume | 9290.9 ± 0.9 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0278 |
| Residual factor for significantly intense reflections | 0.0256 |
| Weighted residual factors for significantly intense reflections | 0.0645 |
| Weighted residual factors for all reflections included in the refinement | 0.0657 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4339882.cif |
| 179501 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/98. |
4339882.cif |
| 117601 | 2014-06-15 | cif/ Adding structures of 4339878, 4339879, 4339880, 4339881, 4339882, 4339883, 4339884, 4339885, 4339886, 4339887, 4339888, 4339889, 4339890, 4339891, 4339892, 4339893, 4339894, 4339895, 4339896, 4339897 via cif-deposit CGI script. |
4339882.cif |
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Users of the data should acknowledge the original authors of the
structural data.