Information card for entry 7060192

Structure parameters

• Formula: C17 H19 N O4 Sn
• Calculated formula: C17 H19 N O4 Sn
• SMILES: [Sn]1(c2c(C3[O]1CCO3)cccc2)(C)(C)OC(=O)c1ccncc1
• Title of publication: Synthesis, structural characterization and in vitro antiproliferative effects of novel organotin(iv) compounds with nicotinate and isonicotinate moieties on carcinoma cells
• Authors of publication: Vieriu, Sabina-Mădălina; Someşan, Adrian-Alexandru; Silvestru, Cristian; Licarete, Emilia; Banciu, Manuela; Varga, Richard A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 1020 - 1028
• a: 9.142 ± 0.002 Å
• b: 9.455 ± 0.002 Å
• c: 11.142 ± 0.003 Å
• α: 104.291 ± 0.004°
• β: 107.472 ± 0.004°
• γ: 91.291 ± 0.004°
• Cell volume: 885.3 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No