Information card for entry 7217249

Structure parameters

• Formula: C16 H29 N5 O4 Si
• Calculated formula: C16 H29 N5 O4 Si
• SMILES: C1COCCN1Cc1cn(CCC[Si]234[N](CCO2)(CCO4)CCO3)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: 10.48 ± 0.005 Å
• b: 10.536 ± 0.004 Å
• c: 11.09 ± 0.005 Å
• α: 63.047 ± 0.005°
• β: 73.639 ± 0.003°
• γ: 65.682 ± 0.005°
• Cell volume: 987.8 ± 0.8 ų
• Cell temperature: 163 K
• Ambient diffraction temperature: 163 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0534
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1276
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No