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Information card for entry 4316131
Preview
| Coordinates | 4316131.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H9 Cl4 N4 O P3 |
|---|---|
| Calculated formula | C8 H9 Cl4 N4 O P3 |
| SMILES | ClP1(Cl)=NP2(Oc3ccccc3CN2C)=NP(Cl)(Cl)=N1 |
| Title of publication | Phosphorus-Nitrogen Compounds. 21. Syntheses, Structural Investigations, Biological Activities, and DNA Interactions of New N/O Spirocyclic Phosphazene Derivatives. The NMR Behaviors of Chiral Phosphazenes with Stereogenic Centers upon the Addition of Chiral Solvating Agents |
| Authors of publication | Muhammet Işiklan; Nuran Asmafiliz; Ezgi Elif Özalp; Elif Ece İlter; Zeynel Kiliç; Bünyemin Çoşut; Serkan Yeşilot; Adem Kiliç; Asli Öztürk; Tuncer Hökelek; L. Yasemin Koç Bilir; Leyla Açik; Emel Akyüz |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2010 |
| Journal volume | 49 |
| Pages of publication | 7057 - 7071 |
| a | 8.5545 ± 0.0004 Å |
| b | 12.1377 ± 0.0003 Å |
| c | 16.6964 ± 0.0004 Å |
| α | 84.618 ± 0.003° |
| β | 77.68 ± 0.004° |
| γ | 74.287 ± 0.005° |
| Cell volume | 1629.21 ± 0.11 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 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 | 0.0976 |
| Residual factor for significantly intense reflections | 0.0749 |
| Weighted residual factors for significantly intense reflections | 0.184 |
| Weighted residual factors for all reflections included in the refinement | 0.1999 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.152 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179241 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/61. |
4316131.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4316131.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4316131.cif |
| 9321 | 2011-02-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4316131 via cif-deposit CGI script. |
4316131.cif |
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