Information card for entry 7116086

Structure parameters

• Formula: C15 H21 N9
• Calculated formula: C15 H21 N9
• SMILES: N(#N)=NCc1c(CC)c(CN=N#N)c(CC)c(c1CC)CN=N#N
• Title of publication: Synthesis and antibacterial activity of trivalent ultrashort Arg-Trp-based antimicrobial peptides (AMPs)
• Authors of publication: Hoffknecht, Barbara C.; Albada, H. Bauke; Sturm, Marina; Prochnow, Pascal; Bandow, Julia E.; Metzler-Nolte, Nils
• Journal of publication: Med. Chem. Commun.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 372
• a: 8.429 ± 0.005 Å
• b: 15.689 ± 0.009 Å
• c: 13.238 ± 0.008 Å
• α: 90°
• β: 101.668 ± 0.013°
• γ: 90°
• Cell volume: 1714.5 ± 1.8 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.188
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.2218
• Weighted residual factors for all reflections included in the refinement: 0.2671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No