Information card for entry 4123521

Structure parameters

• Formula: C29 H32 B F4 O0.5 P
• Calculated formula: C29 H32 B F4 O0.5 P
• Title of publication: Use of a New Spirophosphine To Achieve Catalytic Enantioselective [4 + 1] Annulations of Amines with Allenes To Generate Dihydropyrroles
• Authors of publication: Kramer, Søren; Fu, Gregory C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Pages of publication: 150317085953008
• a: 9.4149 ± 0.0017 Å
• b: 16.705 ± 0.003 Å
• c: 16.72 ± 0.003 Å
• α: 90°
• β: 104.213 ± 0.007°
• γ: 90°
• Cell volume: 2549.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 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: 0.1525
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1303
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No