Information card for entry 7058241

Structure parameters

• Common name: selenocyanate
• Chemical name: 2-(selenocyanatomethyl)naphthalene
• Formula: C12 H9 N Se
• Calculated formula: C12 H9 N Se
• Title of publication: Pronounced activity of aromatic selenocyanates against multidrug resistant ESKAPE bacteria
• Authors of publication: Nasim, Muhammad Jawad; Witek, Karolina; Kincses, Annamária; Abdin, Ahmad Yaman; Żesławska, Ewa; Marć, Małgorzata Anna; Gajdács, Márió; Spengler, Gabriella; Nitek, Wojciech; Latacz, Gniewomir; Karczewska, Elżbieta; Kieć-Kononowicz, Katarzyna; Handzlik, Jadwiga; Jacob, Claus
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 15
• Pages of publication: 6021
• a: 8.2486 ± 0.0002 Å
• b: 5.9839 ± 0.0001 Å
• c: 20.4158 ± 0.0007 Å
• α: 90°
• β: 93.097 ± 0.003°
• γ: 90°
• Cell volume: 1006.23 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: I 1 a 1
• Hall space group symbol: I -2ya
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No