Information card for entry 7156299

Structure parameters

• Chemical name: (5aS,5bS)-5a,5b-diphenyltetradecahydrocyclobuta[1,2:3,4]di[7]annulene
• Formula: C26 H32
• Calculated formula: C26 H32
• Title of publication: An elusive thermal [2 + 2] cycloaddition driven by visible light photocatalysis: tapping into strain to access C2-symmetric tricyclic rings.
• Authors of publication: Singh, Kamaljeet; Trinh, Winston; Latifi, Reza; Weaver, Jimmie D.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 7
• Pages of publication: 1854 - 1861
• a: 14.3431 ± 0.0018 Å
• b: 9.3243 ± 0.0012 Å
• c: 15.4742 ± 0.0019 Å
• α: 90°
• β: 111.719 ± 0.002°
• γ: 90°
• Cell volume: 1922.6 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0975
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No