Information card for entry 7217248

Structure parameters

• Formula: C20 H25 N5 O5 Si
• Calculated formula: C20 H25 N5 O5 Si
• SMILES: c1cccc2c1C(=O)N(C2=O)Cc1cn(CCC[Si]234[N](CCO2)(CCO3)CCO4)nn1
• Title of publication: Design and Syntheses of Novel Fluorescent Organosilicon‒Based Chemosensors Through Click Silylation: Detection of Biogenic Amines
• Authors of publication: Singh, Gurjaspreet; Mangat, SatinderPal Singh; Sharma, Hemant; Singh, Jandeep; Arora, Aanchal; Pannu, Ajay Pal Singh; Singh, Narinder
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 22.8796 ± 0.0005 Å
• b: 7.1945 ± 0.0001 Å
• c: 25.1019 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4132 ± 0.3 ų
• Cell temperature: 143 K
• Ambient diffraction temperature: 143 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1295
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No