Information card for entry 1576995

Structure parameters

• Formula: C32 H32 N4 O2
• Calculated formula: C32 H32 N4 O2
• Title of publication: Dimerisation of aryl-substituted bicyclobutanes (BCBs): Revealing a new mode of 1,3-dipolar background reactivity
• Authors of publication: Werz, Daniel B.; George, Malini; Knyazev, Daniil A.; Świątek, Kamil; von Köller, Heinrich
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 8.7218 ± 0.0006 Å
• b: 16.3416 ± 0.0011 Å
• c: 18.7045 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2665.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No