Information card for entry 4514488

Structure parameters

• Formula: C11 H14 N2 O2 Se
• Calculated formula: C11 H14 N2 O2 Se
• SMILES: C1(N(c2ccccc2N1CCO)CCO)=[Se]
• 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: 9.0796 ± 0.0005 Å
• b: 16.7307 ± 0.0009 Å
• c: 8.327 ± 0.0004 Å
• α: 90°
• β: 106.993 ± 0.002°
• γ: 90°
• Cell volume: 1209.71 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0548
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No