Information card for entry 7233886

Structure parameters

• Formula: C28 H22 N2 O
• Calculated formula: C28 H22 N2 O
• SMILES: Cc1ccc(n2c(c(nc2c2ccccc2O)c2ccccc2)c2ccccc2)cc1
• 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: 10.079 ± 0.0003 Å
• b: 10.2068 ± 0.0003 Å
• c: 10.6405 ± 0.0003 Å
• α: 89.314 ± 0.002°
• β: 76.447 ± 0.002°
• γ: 86.532 ± 0.002°
• Cell volume: 1062.2 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.124
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1502
• Weighted residual factors for all reflections included in the refinement: 0.1882
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No