Information card for entry 1573989

Structure parameters

• Formula: C18 H15 Br Fe O2
• Calculated formula: C18 H15 Br Fe O2
• Title of publication: Asymmetric synthesis of metallocenes with planar and central chirality by rhodium-catalyzed desymmetrization reactions.
• Authors of publication: Hang, Nan-Nan; Tong, En-Guang; Qi, Ting; Sun, Chao; Ming, Jialin
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 14
• Pages of publication: 5880 - 5886
• a: 7.613 ± 0.0005 Å
• b: 8.5829 ± 0.0004 Å
• c: 12.8193 ± 0.0007 Å
• α: 80.36 ± 0.004°
• β: 73.628 ± 0.005°
• γ: 82.082 ± 0.005°
• Cell volume: 788.68 ± 0.08 ų
• Cell temperature: 219.99 ± 0.1 K
• Ambient diffraction temperature: 219.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No