Information card for entry 1575810

Structure parameters

• Formula: C20 H36 F12 N4 O6 Ti2
• Calculated formula: C20 H36 F12 N4 O6 Ti2
• Title of publication: Exploring untapped potential of the molecular precursor approach to control fluorine-doping in mesostructured titania for acid catalysis
• Authors of publication: Elgayar, Fouad; Jeanneau, Erwann; Bargiela, Pascal; Mesbah, Adel; Essayem, Nadine; Mishra, Shashank
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 22
• Pages of publication: 6744 - 6756
• a: 12.1293 ± 0.0001 Å
• b: 12.741 ± 0.0001 Å
• c: 20.1157 ± 0.0002 Å
• α: 90°
• β: 92.442 ± 0.001°
• γ: 90°
• Cell volume: 3105.85 ± 0.05 ų
• Cell temperature: 100.04 ± 0.18 K
• Ambient diffraction temperature: 100.04 ± 0.18 K
• Number of distinct elements: 6
• 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: 0.0367
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No