Information card for entry 7250577

Structure parameters

• Chemical name: 3, 3'- (bis-2-isopropyl-5-methylcyclohexyl) bis(carbonate) helicene
• Formula: C68 H62 O6
• Calculated formula: C68 H62 O6
• Title of publication: An efficient pathway to high persistence length helicenes from scalable [4]-helicene synthons
• Authors of publication: Reinhard, Garrett L.; Dowling, Reed; Hewitt, Patrick; Varshney, Vikas; Simone, Davide L.
• Journal of publication: RSC Advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 26
• Pages of publication: 20935 - 20943
• a: 24.4751 ± 0.001 Å
• b: 14.97496 ± 0.0001 Å
• c: 30.655 ± 0.0013 Å
• α: 90°
• β: 151.936 ± 0.012°
• γ: 90°
• Cell volume: 5286 ± 2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.2263
• Weighted residual factors for all reflections included in the refinement: 0.2301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No