Information card for entry 7132269

Structure parameters

• Chemical name: HL8
• Formula: C26 H30 N4 O6
• Calculated formula: C26 H30 N4 O6
• SMILES: Oc1c(ccc(N(CC)CC)c1)/C=[NH+]/c1c(C(=O)N[C@@H](c2ccccc2)C)cccc1.O=N(=O)[O-].O
• Title of publication: Concurrent Cu(II)-initiated Fenton-like Reaction and Glutathione Depletion to Escalate Chemodynamic Therapy
• Authors of publication: Gautam, Ritika; Kumar, Ashwini; Chaudhary, Ayushi; Agrahari, Bhumika; Chaudhary, Kajal; Kumar, Pooran
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 5.356 ± 0.0002 Å
• b: 10.9666 ± 0.0004 Å
• c: 11.071 ± 0.0004 Å
• α: 78.447 ± 0.001°
• β: 76.36 ± 0.001°
• γ: 89.992 ± 0.001°
• Cell volume: 618.38 ± 0.04 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No