Information card for entry 1513426

Structure parameters

• Formula: C46 H40 N O5 P
• Calculated formula: C46 H40 N O5 P
• Title of publication: Chiral phosphorus-based 1,3-dipoles: a modular approach to enantioselective 1,3-dipolar cycloaddition and polycyclic 2-pyrroline synthesis.
• Authors of publication: Morin, Marie S. T.; Arndtsen, Bruce A.
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 4
• Pages of publication: 1056 - 1059
• a: 11.4547 ± 0.0003 Å
• b: 13.3323 ± 0.0004 Å
• c: 48.8967 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7467.4 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1531
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No