Information card for entry 7233885

Structure parameters

• Formula: C44 H40 N2 O Si
• Calculated formula: C44 H40 N2 O Si
• Title of publication: A highly selective ratiometric detection of F- based on excited-state intramolecular proton-transfer (imidazole) materials
• Authors of publication: Kunchala Dhanunjayarao; Vanga Mukundam; Krishnan Venkatasubbaiah
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 8599 - 8606
• a: 14.8683 ± 0.0006 Å
• b: 10.4772 ± 0.0004 Å
• c: 23.5294 ± 0.001 Å
• α: 90°
• β: 91.515 ± 0.003°
• γ: 90°
• Cell volume: 3664.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1277
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1545
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No