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Information card for entry 1543565
Preview
| Coordinates | 1543565.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H32 Cl2 N7 O8 P3 |
|---|---|
| Calculated formula | C32 H32 Cl2 N7 O8 P3 |
| Title of publication | Investigation of nucleophilic substitution pathway for the reactions of 1,4-benzodioxan-6-amine with chlorocyclophosphazenes |
| Authors of publication | Hanife Ibisoglu; Serap Besli; Fatma Yuksel; Ilker Un; Adem Kilic |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2014 |
| Pages of publication | 216 - 226 |
| a | 13.6874 ± 0.0003 Å |
| b | 15.0469 ± 0.0004 Å |
| c | 19.1249 ± 0.0005 Å |
| α | 82.033 ± 0.001° |
| β | 75.768 ± 0.001° |
| γ | 74.482 ± 0.001° |
| Cell volume | 3667.56 ± 0.16 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.0579 |
| Residual factor for significantly intense reflections | 0.0422 |
| Weighted residual factors for significantly intense reflections | 0.0971 |
| Weighted residual factors for all reflections included in the refinement | 0.1025 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1543565.cif |
| 211137 | 2018-09-24 | cif/ Removing DOI prefixes from 127 CIF files using cif_fix_values r6433. |
1543565.cif |
| 184025 | 2016-06-28 | cif/ Adding structures of 1543565 via cif-deposit CGI script. |
1543565.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
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.
Users of the data should acknowledge the original authors of the
structural data.