Information card for entry 7061168

Structure parameters

• Formula: C44 H36 N3 O14 P3
• Calculated formula: C44 H36 N3 O14 P3
• SMILES: P1(Oc2ccc(C(=O)OC)cc2)(Oc2ccc(C(=O)OC)cc2)=NP(Oc2ccc(C(=O)OC)cc2)(Oc2ccc(cc2)C(=O)OC)=NP2(Oc3c(c4c(O2)cccc4)cccc3)=N1
• Title of publication: Synthesis, characterization and cytotoxic activity studies on cancer cell lines of new paraben-decorated monospiro-cyclotriphosphazenes
• Authors of publication: Şenkuytu, Elif; Akbaş, Nadide; Yıldırım, Tuba; Çiftçi, Gönül Yenilmez
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 2453 - 2464
• a: 8.6664 ± 0.0005 Å
• b: 22.88 ± 0.0012 Å
• c: 21.5111 ± 0.0011 Å
• α: 90°
• β: 90.321 ± 0.003°
• γ: 90°
• Cell volume: 4265.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No