Information card for entry 4517783

Structure parameters

• Formula: C23 H23 N O3 Sn
• Calculated formula: C23 H23 N O3 Sn
• SMILES: [Sn]12(Oc3ccccc3C=[N]2C(CO)(C)CO1)(c1ccccc1)c1ccccc1
• Title of publication: New Tailored RNA-Targeted Organometallic Drug Candidates against Huh7 (Liver) and Du145 (Prostate) Cancer Cell Lines
• Authors of publication: Khan, Huzaifa Yasir; Maurya, Santosh K.; Siddique, Hifzur R.; Yousuf, Shariq; Arjmand, Farukh
• Journal of publication: ACS Omega
• Year of publication: 2020
• Journal volume: 5
• Journal issue: 25
• Pages of publication: 15218 - 15228
• a: 8.6269 ± 0.0002 Å
• b: 9.0681 ± 0.0002 Å
• c: 14.8527 ± 0.0003 Å
• α: 75.02 ± 0.0006°
• β: 86.4 ± 0.0008°
• γ: 65.994 ± 0.001°
• Cell volume: 1024.16 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0266
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0486
• Weighted residual factors for all reflections included in the refinement: 0.0504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0529
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No