Information card for entry 4023222

Structure parameters

• Formula: C49 H48 Fe P2
• Calculated formula: C49 H48 Fe P2
• SMILES: [Fe]12345678([c]9(P%10[C@@H](CC[C@H]%10c%10ccccc%10)c%10ccccc%10)[cH]1[cH]2[cH]3[cH]49)[c]1([cH]8[cH]7[cH]6[cH]51)P1[C@@H](CC[C@H]1c1ccccc1)c1ccccc1.Cc1ccccc1
• Title of publication: Bis-(2,5-diphenylphospholanes) with sp^2^ Carbon Linkers: Synthesis and Application in Asymmetric Hydrogenation
• Authors of publication: Martin E. Fox; Mark Jackson; Ian C. Lennon; Jerzy Klosin; Khalil A. Abboud
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 775 - 784
• a: 27.5649 ± 0.0017 Å
• b: 5.7448 ± 0.0004 Å
• c: 26.7615 ± 0.0017 Å
• α: 90°
• β: 115.727 ± 0.001°
• γ: 90°
• Cell volume: 3817.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0688
• Weighted residual factors for all reflections included in the refinement: 0.0711
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No