Information card for entry 7120609

Structure parameters

• Formula: C38 H34 N6 O9 S2
• Calculated formula: C38 H34 N6 O9 S2
• Title of publication: Two Fluorescein-based Chemosensors for the Fast Detection of 2, 4, 6-Trinitrophenol (TNP) in Water
• Authors of publication: Peng, Yu; Wang, Ya-Wen; Fu, Zhen-Hai
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 8.2956 ± 0.0008 Å
• b: 15.1849 ± 0.0014 Å
• c: 16.4901 ± 0.0016 Å
• α: 83.14 ± 0.008°
• β: 81.044 ± 0.008°
• γ: 87.483 ± 0.008°
• Cell volume: 2036.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1648
• Residual factor for significantly intense reflections: 0.0811
• Weighted residual factors for significantly intense reflections: 0.1994
• Weighted residual factors for all reflections included in the refinement: 0.2537
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No