Information card for entry 7156300

Structure parameters

• Chemical name: (5aS,5bS,10aS,10bS)-5a,5b-di(pyridin-2-yl)tetradecahydrocyclobuta[1,2:3,4]di[7]annulene
• Formula: C24 H30 N2
• Calculated formula: C24 H30 N2
• 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: 24.779 ± 0.003 Å
• b: 8.6962 ± 0.001 Å
• c: 17.543 ± 0.002 Å
• α: 90°
• β: 100.152 ± 0.002°
• γ: 90°
• Cell volume: 3721 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No