Information card for entry 1575692

Structure parameters

• Formula: C38 H28 F6 N2 O4 Ti
• Calculated formula: C38 H28 F6 N2 O4 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: 11.0169 ± 0.0006 Å
• b: 21.8914 ± 0.0012 Å
• c: 13.9563 ± 0.0007 Å
• α: 90°
• β: 95.792 ± 0.002°
• γ: 90°
• Cell volume: 3348.7 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No