Information card for entry 7056728

Structure parameters

• Formula: C26 H28 N2 O3 Si
• Calculated formula: C26 H27.5 N2 O3 Si
• SMILES: [Si]123(OCC[N]3(CCO1)CCO2)CCC/N=C/c1c2c3c(ccc4c3c(ccc4)cc2)cc1
• Title of publication: First synthesis of pyrene functionalized silatranes for mechanistic insight into their potential anti-parasitic and anti-oxidation activities
• Authors of publication: Singh, Gurjaspreet; Singh, Akshpreet; Singh, Jasbhinder; Aulakh, Darpandeep; Wriedt, Mario; Ruiz , Cristóbal Espinosa; Esteban, Maria A.; Sehgal, Rakesh; Goyal, Kapil; Sinha, Shweta
• Journal of publication: New Journal of Chemistry
• Year of publication: 2017
• a: 27.649 ± 0.003 Å
• b: 7.2495 ± 0.0009 Å
• c: 21.908 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4391.3 ± 0.8 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.2031
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.748
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No