Information card for entry 2219943

Structure parameters

• Chemical name: (<i>R</i>,<i>S</i>~P~)-1-Diphenylphosphino-2-(1-ethoxyethyl)ferrocene
• Formula: C26 H27 Fe O P
• Calculated formula: C26 H27 Fe O P
• SMILES: [Fe]12345678([cH]9[cH]1[cH]2[cH]3[cH]49)[c]1([cH]5[cH]6[cH]7[c]81[C@H](OCC)C)P(c1ccccc1)c1ccccc1
• Title of publication: (<i>R</i>,<i>S</i>~P~)-1-Diphenylphosphino-2-(1-ethoxyethyl)ferrocene
• Authors of publication: Yuan, Hao; Zhou, Zhi-Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: m1448
• a: 11.003 ± 0.002 Å
• b: 12.191 ± 0.002 Å
• c: 16.599 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2226.5 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for all reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes