Information card for entry 4123524

Structure parameters

• Formula: C18 H24 N2 O7 S
• Calculated formula: C18 H24 N2 O7 S
• 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: 8.0897 ± 0.0016 Å
• b: 10.667 ± 0.002 Å
• c: 11.916 ± 0.002 Å
• α: 90°
• β: 93.879 ± 0.01°
• γ: 90°
• Cell volume: 1025.9 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.067
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1168
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No