Information card for entry 1572362

Structure parameters

• Formula: C27 H21 N7 S
• Calculated formula: C27 H21 N7 S
• SMILES: C(=NNC(=S)N=C1c2ccccc2Nc2ccccc12)(c1ccccn1)c1ccccn1.CC#N
• Title of publication: Targeting lysosomes by design: novel <i>N</i>-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
• Journal volume: 15
• Journal issue: 37
• Pages of publication: 15109 - 15124
• a: 7.5694 ± 0.0005 Å
• b: 8.978 ± 0.0007 Å
• c: 18.7562 ± 0.0013 Å
• α: 83.796 ± 0.006°
• β: 89.902 ± 0.006°
• γ: 65.641 ± 0.007°
• Cell volume: 1153.07 ± 0.16 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0599
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No