Information card for entry 4069163

Structure parameters

• Formula: C33 H34 P2
• Calculated formula: C33 H34 P2
• SMILES: P1([C@H](CC[C@@H]1c1ccccc1)c1ccccc1)CP1[C@H](CC[C@@H]1c1ccccc1)c1ccccc1
• Title of publication: Bridging Group Effects in Chelating Bis(2,5-diphenylphospholane) Ligands for Rhodium-Catalyzed Asymmetric Hydroformylation
• Authors of publication: Axtell, Alex T.; Klosin, Jerzy; Whiteker, Gregory T.; Cobley, Christopher J.; Fox, Martin E.; Jackson, Mark; Abboud, Khalil A.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 10
• Pages of publication: 2993
• a: 40.301 ± 0.002 Å
• b: 5.9112 ± 0.0003 Å
• c: 11.5138 ± 0.0006 Å
• α: 90°
• β: 104.994 ± 0.001°
• γ: 90°
• Cell volume: 2649.5 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0704
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No