Information card for entry 7052879

Structure parameters

• Formula: C52 H42 Cl6 N4 O6
• Calculated formula: C52 H42 Cl6 N4 O6
• Title of publication: Cation-induced fluorescent excimer emission in calix[4]arene-chemosensors bearing quinoline as a fluorogenic unit: experimental, molecular modeling and crystallographic studies
• Authors of publication: Patra, Subrata; Gunupuru, Ravi; Lo, Rabindranath; Suresh, E.; Ganguly, Bishwajit; Paul, Parimal
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 4
• Pages of publication: 988
• a: 10.1151 ± 0.0018 Å
• b: 12.632 ± 0.002 Å
• c: 20.705 ± 0.004 Å
• α: 106.85 ± 0.003°
• β: 90.681 ± 0.003°
• γ: 103.566 ± 0.003°
• Cell volume: 2452.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1182
• Residual factor for significantly intense reflections: 0.088
• Weighted residual factors for significantly intense reflections: 0.2291
• Weighted residual factors for all reflections included in the refinement: 0.2498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No