Information card for entry 1576996

Structure parameters

• Formula: C42 H32 O2
• Calculated formula: C42 H32 O2
• Title of publication: Dimerisation of aryl-substituted bicyclobutanes (BCBs): revealing a new mode of 1,3-dipolar background reactivity.
• Authors of publication: George, Malini; Knyazev, Daniil A.; Swiatek, Kamil; von Köller, Heinrich F; Werz, Daniel B.
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 20
• Pages of publication: 10159 - 10167
• a: 10.793 ± 0.01 Å
• b: 11.439 ± 0.01 Å
• c: 14.225 ± 0.013 Å
• α: 67.52 ± 0.019°
• β: 69.114 ± 0.015°
• γ: 69.485 ± 0.012°
• Cell volume: 1469 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1367
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No