Information card for entry 4027592

Structure parameters

• Formula: C26 H33 N3 O S Si
• Calculated formula: C26 H33 N3 O S Si
• SMILES: [Si](Oc1cc(N(CC)CC)ccc1/C=C(\C#N)c1sc2ccccc2n1)(C)(C)C(C)(C)C
• Title of publication: A Selective, Sensitive, Colorimetric, and Fluorescence Probe for Relay Recognition of Fluoride and Cu(II) Ions with "Off-On-Off" Switching in Ethanol-Water Solution
• Authors of publication: Yu Peng; Yu-Man Dong; Ming Dong; Ya-Wen Wang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 9072 - 9080
• a: 8.073 ± 0.007 Å
• b: 17.079 ± 0.014 Å
• c: 18.725 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2582 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0772
• Weighted residual factors for significantly intense reflections: 0.1852
• Weighted residual factors for all reflections included in the refinement: 0.2119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No