Information card for entry 7250574

Structure parameters

• Chemical name: 2-isopropyl-5-methyl-cyclohexyl (6-vinylnaphthalen-2-yl) carbonate
• Formula: C23 H28 O3
• Calculated formula: C23 H28 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: 11.6154 ± 0.0002 Å
• b: 6.2473 ± 0.0001 Å
• c: 13.6735 ± 0.0003 Å
• α: 90°
• β: 99.808 ± 0.002°
• γ: 90°
• Cell volume: 977.71 ± 0.03 ų
• Cell temperature: 200.15 K
• Ambient diffraction temperature: 200.15 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0356
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No