Information card for entry 7043320

Structure parameters

• Formula: C38 H30 N7 O2 P3
• Calculated formula: C38 H30 N7 O2 P3
• SMILES: P1(=N[P@](=N[P@](=N1)(n1cnc2c1cccc2)Oc1ccccc1)(n1cnc2c1cccc2)Oc1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Imidazole/Benzimidazole-Modified Cyclotriphosphazenes as Highly Selective Fluorescent Probes for Cu2+: Synthesis, Configurational Isomers, and Crystal Structures
• Authors of publication: Uslu, Aylin; Tümay, Süreyya Oğuz; Şenocak, Ahmet; Yuksel, Fatma; Özcan, Elif; Yeşilot, Serkan
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 19.144 ± 0.002 Å
• b: 8.3339 ± 0.001 Å
• c: 21.679 ± 0.002 Å
• α: 90°
• β: 104.241 ± 0.008°
• γ: 90°
• Cell volume: 3352.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No