Information card for entry 4108183

Structure parameters

• Formula: C11 H10 Br F6 O4 P
• Calculated formula: C11 H10 Br F6 O4 P
• SMILES: Brc1ccc(cc1)[C@@H](O)P(=O)(OCC(F)(F)F)OCC(F)(F)F
• Title of publication: Catalytic Enantioselective Pudovik Reaction of Aldehydes and Aldimines with Tethered Bis(8-quinolinato) (TBOx) Aluminum Complex
• Authors of publication: Joshua P. Abell; Hisashi Yamamoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 10521 - 10523
• a: 11.689 ± 0.018 Å
• b: 8.154 ± 0.013 Å
• c: 16.11 ± 0.02 Å
• α: 90°
• β: 94.01 ± 0.02°
• γ: 90°
• Cell volume: 1532 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No