Information card for entry 1559355

Structure parameters

• Formula: C30 H32 N16 O20 S2
• Calculated formula: C30 H32 N16 O20 S2
• Title of publication: A Urea-Functionalized Chemoreceptor for Expeditious Chromogenic Recognition of Toxic Industrial Pollutants Cu2+ and CN‒ from Real Water Sources and Biofluids: Diagnosis of Wilson’s disease from Human Urine
• Authors of publication: Paul, Suparna; Das, Riyanka; Seth, Madhupa; Hirani, Harish; Murmu, Naresh Chandra; Banerjee, Priyabrata
• Journal of publication: Industrial & Engineering Chemistry Research
• Year of publication: 2020
• a: 21.4965 ± 0.0013 Å
• b: 8.105 ± 0.0004 Å
• c: 24.4598 ± 0.0014 Å
• α: 90°
• β: 107.47 ± 0.002°
• γ: 90°
• Cell volume: 4065 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.69 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No