Information card for entry 7132209

Structure parameters

• Common name: Ferrocenyl
• Chemical name: 9-Bromo-10-ferrocenylanthracene
• Formula: C24 H17 Br Fe
• Calculated formula: C24 H17 Br Fe
• SMILES: Brc1c2ccccc2c(c2ccccc12)[c]12[Fe]3456789([cH]1[cH]3[cH]4[cH]25)[cH]1[cH]6[cH]7[cH]8[cH]91
• Title of publication: The unexpected effect of ferrocenyl substituents on the photochemistry of dianthryl sulfoxides.
• Authors of publication: Removski, Nicole; Wolf, Michael O.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• a: 10.024 ± 0.002 Å
• b: 14.043 ± 0.003 Å
• c: 12.112 ± 0.002 Å
• α: 90°
• β: 97.624 ± 0.006°
• γ: 90°
• Cell volume: 1689.9 ± 0.6 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 4
• 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: 0.0292
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No