Information card for entry 1572364

Structure parameters

• Formula: C43 H40 N12 O2 S2 Zn
• Calculated formula: C43 H40 N12 O2 S2 Zn
• Title of publication: Targeting lysosomes by design: novel N-acridine thiosemicarbazones that enable direct detection of intracellular drug localization and overcome P-glycoprotein (Pgp)-mediated resistance
• Authors of publication: Kaya, Busra; Smith, Henry; Chen, Yanbing; Azad, Mahan Gholam; M. Russell, Tiffany; Richardson, Vera; Bernhardt, Paul V.; Dharmasivam, Mahendiran; Richardson, Des R.
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 12.7994 ± 0.0005 Å
• b: 13.045 ± 0.0005 Å
• c: 13.6798 ± 0.0006 Å
• α: 100.07 ± 0.002°
• β: 99.897 ± 0.002°
• γ: 103.258 ± 0.002°
• Cell volume: 2134.75 ± 0.15 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0501
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No