Information card for entry 7120139

Structure parameters

• Formula: C42 H60 B Fe P
• Calculated formula: C42 H60 B Fe P
• Title of publication: A general diastereoselective synthesis of highly functionalized ferrocenyl ambiphiles enabled on a large scale by electrochemical purification
• Authors of publication: Lerayer, Emmanuel; Renaut, Patrice; Roger, Julien; Pirio, Nadine; Cattey, Hélène; Devillers, Charles H.; Lucas, Dominique; Hierso, Jean-Cyrille
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 11.6447 ± 0.0004 Å
• b: 12.0206 ± 0.0004 Å
• c: 15.3638 ± 0.0004 Å
• α: 98.979 ± 0.002°
• β: 109.086 ± 0.002°
• γ: 103.123 ± 0.002°
• Cell volume: 1916.3 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0574
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0957
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No