Information card for entry 7135322

Structure parameters

• Common name: (R,R)-1
• Chemical name: (R,R)-[(Ph,Me)-FebTAML][Cl]
• Formula: C43 H63 Cl Fe N7 O4
• Calculated formula: C43 H63 Cl Fe N7 O4
• Title of publication: Enantioselective C-H Bond Oxidation using Bio-Inspired Chiral Fe-TAML Catalyst
• Authors of publication: Dey Biswas, Doyel; Das, Soumadip; Pal, Debraj; Sen Gupta, Sayam
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 9.0356 ± 0.0002 Å
• b: 13.1688 ± 0.0002 Å
• c: 17.9549 ± 0.0003 Å
• α: 88.5 ± 0.002°
• β: 81.057 ± 0.002°
• γ: 88.78 ± 0.001°
• Cell volume: 2109.4 ± 0.07 ų
• Cell temperature: 99.98 ± 0.18 K
• Ambient diffraction temperature: 99.98 ± 0.18 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.2051
• Weighted residual factors for all reflections included in the refinement: 0.2064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No