Information card for entry 7226306

Structure parameters

• Formula: C25 H30 N4 O6 Si
• Calculated formula: C25 H30 N4 O6 Si
• SMILES: [Si]123(OCC[N]3(CCO1)CCO2)CCCn1nnc(c1)COc1ccc(cc1)C(=O)/C=C/c1occc1
• Title of publication: Heteroaryl chalcone allied triazole conjugated organosilatranes: Synthesis, Spectral Analysis, Antimicrobial Screening, Photophysical and Theoretical Investigations
• Authors of publication: Singh, Gurjaspreet; Arora, Aanchal; Chaudhary, Sunita; Maurya, Indresh K.; Aulakh, Darpandeep; Wriedt, Mario
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 15.465 ± 0.004 Å
• b: 14.136 ± 0.004 Å
• c: 11.506 ± 0.003 Å
• α: 90°
• β: 90.14 ± 0.007°
• γ: 90°
• Cell volume: 2515.4 ± 1.2 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 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: 0.3379
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1807
• Weighted residual factors for all reflections included in the refinement: 0.2767
• Goodness-of-fit parameter for all reflections included in the refinement: 0.764
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No