Information card for entry 4123522

Structure parameters

• Formula: C29.7 H34.99 Cl0.4 N3 O8 S
• Calculated formula: C29.696 H34.99 Cl0.402 N3 O8 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: 15.5147 ± 0.0012 Å
• b: 12.7713 ± 0.001 Å
• c: 15.9668 ± 0.0012 Å
• α: 90°
• β: 105.721 ± 0.004°
• γ: 90°
• Cell volume: 3045.4 ± 0.4 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: 0.1065
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for significantly intense reflections: 0.2482
• Weighted residual factors for all reflections included in the refinement: 0.2582
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No