Information card for entry 1575690

Structure parameters

• Formula: C24 H20 O6 Ti
• Calculated formula: C24 H20 O6 Ti
• Title of publication: Anti-breast cancer stem cell activity of titanocene complexes of non-steroidal anti-inflammatory drugs.
• Authors of publication: Mouriki, Olympia; Passeri, Ginevra; Singh, Karampal; Lamorte, Sarah D.; Singh, Kuldip; Suntharalingam, Kogularamanan; Kilpatrick, Alexander F. R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 41
• Pages of publication: 15389 - 15394
• a: 10.142 ± 0.0006 Å
• b: 13.4472 ± 0.0009 Å
• c: 15.6399 ± 0.0009 Å
• α: 90°
• β: 107.874 ± 0.003°
• γ: 90°
• Cell volume: 2030 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No