Information card for entry 7217250

Structure parameters

• Formula: C12 H22 N4 O4 Si
• Calculated formula: C12 H22 N4 O4 Si
• SMILES: C(c1cn(CCC[Si]234[N](CCO4)(CCO3)CCO2)nn1)O
• 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: 23.2106 ± 0.0005 Å
• b: 11.4407 ± 0.0003 Å
• c: 14.1836 ± 0.001 Å
• α: 90°
• β: 127.208 ± 0.009°
• γ: 90°
• Cell volume: 2999.7 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0623
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No