Information card for entry 7250572

Structure parameters

• Chemical name: 2-isopropyl-5-methyl cyclohexyl (11-vinylbenzo[c]phenanthren-3-yl)
• Formula: C31 H32 O3
• Calculated formula: C31 H32 O3
• 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: 6.4947 ± 0.0002 Å
• b: 13.8436 ± 0.0004 Å
• c: 27.5171 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2474.06 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No