Information card for entry 4029814

Structure parameters

• Formula: C25 H21 N O4 S
• Calculated formula: C25 H21 N O4 S
• Title of publication: An intramolecular [2 + 2] photocycloaddition approach to conformationally restricted bis-pyrrolidines.
• Authors of publication: Fort, Diego A.; Woltering, Thomas J.; Alker, André M; Bach, Thorsten
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 15
• Pages of publication: 7152 - 7161
• a: 6.419 ± 0.0001 Å
• b: 15.9155 ± 0.0004 Å
• c: 19.2921 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1970.91 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0488
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1458
• Weighted residual factors for all reflections included in the refinement: 0.1475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.21
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No