Information card for entry 7716092

Structure parameters

• Formula: C55 H59 Cl N8 O8 Zn
• Calculated formula: C55 H59 Cl N8 O8 Zn
• SMILES: [Zn]123([O]=C(O1)C(c1ccc(cc1)CCN1CCC(c4n(c5c(n4)cccc5)CCOCC)CC1)(C)C)([n]1c4c5[n]2cccc5ccc4ccc1)[n]1c2c4[n]3cccc4ccc2ccc1.Cl(=O)(=O)(=O)[O-].C(=O)N(C)C
• Title of publication: Repurposing the antihistamine drug bilastine as an anti-cancer metallic drug entity: synthesis and single-crystal X-ray structure analysis of metal-based bilastine and phen [Co(II), Cu(II) and Zn(II)] tailored anticancer chemotherapeutic agents against resistant cancer cells.
• Authors of publication: Rijwan, ?; Arjmand, Farukh; Tabassum, Sartaj
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 24
• Pages of publication: 10126 - 10141
• a: 12.4495 ± 0.0002 Å
• b: 14.2858 ± 0.0004 Å
• c: 15.3421 ± 0.0002 Å
• α: 89.321 ± 0.002°
• β: 78.885 ± 0.001°
• γ: 81.02 ± 0.002°
• Cell volume: 2644.14 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1003
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.2134
• Weighted residual factors for all reflections included in the refinement: 0.2262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No