Information card for entry 4515456

Structure parameters

• Common name: rl021
• Formula: C50 H42 F2 N6 O4 Zn
• Calculated formula: C50 H42 F2 N6 O4 Zn
• Title of publication: A Cancer-Selective Zinc Ionophore Inspired by the Natural Product Naamidine A.
• Authors of publication: Vaden, Rachel M.; Guillen, Katrin P.; Salvant, Justin M.; Santiago, Celine B.; Gibbons, Joseph B.; Pathi, Satya S.; Arunachalam, Sasi; Sigman, Matthew S.; Looper, Ryan E.; Welm, Bryan E.
• Journal of publication: ACS chemical biology
• Year of publication: 2019
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 106 - 117
• a: 12.4957 ± 0.0018 Å
• b: 12.624 ± 0.0017 Å
• c: 14.069 ± 0.002 Å
• α: 77.346 ± 0.007°
• β: 86.013 ± 0.008°
• γ: 76.532 ± 0.007°
• Cell volume: 2105.5 ± 0.5 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0992
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No