Information card for entry 7057493

Structure parameters

• Formula: C38 H36 N6 O4 Zn
• Calculated formula: C38 H36 N6 O4 Zn
• Title of publication: A highly selective fluorescence turn-on chemosensor for Zn2+, and its application in live cell imaging, and as a colorimetric sensor for Co2+: experimental and TD-DFT calculations
• Authors of publication: Sohrabi, Marzieh; Amirnasr, Mehdi; Meghdadi, Soraia; Lutz, Martin; Bikhof Torbati, Maryam; Farrokhpour, Hossein
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 15
• Pages of publication: 12595
• a: 15.587 ± 0.0006 Å
• b: 10.2189 ± 0.0004 Å
• c: 21.557 ± 0.0008 Å
• α: 90°
• β: 104.022 ± 0.002°
• γ: 90°
• Cell volume: 3331.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0705
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No