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Information card for entry 7062159
Preview
| Coordinates | 7062159.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H36 Cl3 N8 P3 |
|---|---|
| Calculated formula | C29 H36 Cl3 N8 P3 |
| SMILES | [P@@]12(=NP(Cl)(Cl)=N[P@]3(=N1)N(CCN3CC)Cc1ccc(Cl)cc1)N(CCN2C)Cc1ccc2n(c3c(c2c1)cccc3)CC.[P@]12(=NP(Cl)(Cl)=N[P@@]3(=N1)N(CCN3CC)Cc1ccc(Cl)cc1)N(CCN2C)Cc1ccc2n(c3c(c2c1)cccc3)CC |
| Title of publication | Phosphorus–nitrogen compounds: part 68. Synthesis, characterization, stereogenism, photophysical and bioactivity studies of novel unsymmetrical dispiro(N/N)cyclotriphosphazenes with carbazolyl and 4-chlorobenzyl pendant arms |
| Authors of publication | Cemaloğlu, Reşit; Asmafiliz, Nuran; Kılıç, Zeynel; Çoşut, Bünyemin; Sabah, Büşra Nur; Açık, Leyla; Çerçi, Nebahat Aytuna; Hökelek, Tuncer |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2023 |
| Journal volume | 47 |
| Journal issue | 4 |
| Pages of publication | 1900 - 1915 |
| a | 33.9988 ± 0.0006 Å |
| b | 8.9587 ± 0.0003 Å |
| c | 21.5431 ± 0.0005 Å |
| α | 90° |
| β | 97.125 ± 0.002° |
| γ | 90° |
| Cell volume | 6511 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0694 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.118 |
| Weighted residual factors for all reflections included in the refinement | 0.1302 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 281521 (current) | 2023-03-04 | cif/ Updating files of 7062159, 7062160 Original log message: Adding full bibliography for 7062159--7062160.cif. |
7062159.cif |
| 279848 | 2022-12-13 | cif/ Adding structures of 7062159, 7062160 via cif-deposit CGI script. |
7062159.cif |
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