Information card for entry 1574219

Structure parameters

• Formula: C24 H30 N2 O4
• Calculated formula: C24 H30 N2 O4
• Title of publication: Diastereoselective 1,3-nitrooxygenation of bicyclo[1.1.0]butanes
• Authors of publication: Maity, Anirban; Balanna, Kuruva; Daniliuc, Constantin G.; Studer, Armido
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 17
• Pages of publication: 7264 - 7269
• a: 8.4366 ± 0.0002 Å
• b: 11.2441 ± 0.0002 Å
• c: 22.9481 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2176.9 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0315
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0685
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No