Information card for entry 7060511

Structure parameters

• Formula: C96 H61 N8 O4
• Calculated formula: C96 H61 N8 O4
• Title of publication: An anthracene‒quinoline based dual-mode fluorometric‒colorimetric sensor for the detection of Fe3+ and its application in live cell imaging
• Authors of publication: Tehrani, Tahereh; Meghdadi, Soraia; Salarvand, Zohreh; Tavakoli, Behnam; Eskandari, Kiamars; Amirnasr, Mehdi
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 8109 - 8117
• a: 8.8312 ± 0.0018 Å
• b: 16.467 ± 0.003 Å
• c: 24.385 ± 0.005 Å
• α: 89.63 ± 0.03°
• β: 87.94 ± 0.03°
• γ: 89.72 ± 0.03°
• Cell volume: 3543.7 ± 1.2 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: 0.4154
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 0.504
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No