Information card for entry 1572363

Structure parameters

• Formula: C27 H20 Cl3 N5 O4
• Calculated formula: C27 H20 Cl3 N5 O4
• 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: 7.6716 ± 0.0004 Å
• b: 11.4509 ± 0.0007 Å
• c: 15.5455 ± 0.001 Å
• α: 102.548 ± 0.005°
• β: 98.148 ± 0.004°
• γ: 103.294 ± 0.005°
• Cell volume: 1270.6 ± 0.14 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0566
• Weighted residual factors for significantly intense reflections: 0.1289
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No