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Information card for entry 7101659
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Coordinates | 7101659.cif |
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Original paper (by DOI) | HTML |
Common name | tris-o-phenylenedioxyspirocyclotriphosphazene |
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Formula | C18 H12 N3 O6 P3 |
Calculated formula | C18 H12 N3 O6 P3 |
SMILES | N1=P2(Oc3ccccc3O2)N=P2(N=P31Oc1ccccc1O3)Oc1ccccc1O2 |
Title of publication | A single-crystal imprints macroscopic orientation on xenon atoms. |
Authors of publication | Comotti, Angiolina; Bracco, Silvia; Ferretti, Lisa; Mauri, Michele; Simonutti, Roberto; Sozzani, Piero |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2007 |
Journal issue | 4 |
Pages of publication | 350 - 352 |
a | 11.454 ± 0.005 Å |
b | 11.454 ± 0.005 Å |
c | 10.16 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1154.4 ± 0.9 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
Space group number | 176 |
Hermann-Mauguin space group symbol | P 63/m |
Hall space group symbol | -P 6c |
Residual factor for all reflections | 0.192 |
Residual factor for significantly intense reflections | 0.0856 |
Weighted residual factors for significantly intense reflections | 0.1246 |
Weighted residual factors for all reflections included in the refinement | 0.3027 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.447 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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