Information card for entry 7221651

Structure parameters

• Formula: C15 H22 N2 O4 S Si
• Calculated formula: C15 H22 N2 O4 S Si
• SMILES: [Si]123(CCCSC(=O)c4ccncc4)OCC[N]2(CCO1)CCO3
• Title of publication: Organosilatranes with thioester-anchored heterocyclic ring assembly: Cu2+ ion binding and fabrication of hybrid silica nanoparticles
• Authors of publication: Singh, Gurjaspreet; Rani, Sunita; Saroa, Amandeep; Girdhar, Shally; Singh, Jandeep; Arora, Aanchal; Aulakh, Darpandeep; Wriedt, Mario
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 11.558 ± 0.001 Å
• b: 7.3752 ± 0.0007 Å
• c: 19.4783 ± 0.0017 Å
• α: 90°
• β: 93.613 ± 0.003°
• γ: 90°
• Cell volume: 1657.1 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 6
• 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: 0.0713
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No