Information card for entry 4514486

Structure parameters

• Formula: C11 H14 N2 O2 S
• Calculated formula: C11 H14 N2 O2 S
• SMILES: C1(=S)N(c2ccccc2N1CCO)CCO
• Title of publication: Copper-Driven Deselenization: A Strategy for Selective Conversion of Copper Ion to Nanozyme and Its Implication for Copper-Related Disorders.
• Authors of publication: Chalana, Ashish; Karri, Ramesh; Das, Ranajit; Kumar, Binayak; Rai, Rakesh Kumar; Saxena, Himani; Gupta, Ashish; Banerjee, Mainak; Jha, Kunal Kumar; Roy, Gouriprasanna
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2019
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 4766 - 4776
• a: 9.1345 ± 0.0007 Å
• b: 16.4281 ± 0.0012 Å
• c: 8.2308 ± 0.0007 Å
• α: 90°
• β: 108.482 ± 0.002°
• γ: 90°
• Cell volume: 1171.43 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0733
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No