Information card for entry 4123917

Structure parameters

• Formula: C58 H28
• Calculated formula: C58 H28
• SMILES: c12cccc3c1c1c(c4c3cccc4)c3c4c5ccccc5c5cccc6c5c4c4c(c3c3c5c(c7cccc2c7c13)cccc5)c1ccccc1c1cccc6c41
• Title of publication: Synthesis, Structures, and Properties of π-Extended Double Helicene: A Combination of Planar and Nonplanar π-Systems.
• Authors of publication: Fujikawa, Takao; Segawa, Yasutomo; Itami, Kenichiro
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 24
• Pages of publication: 7763 - 7768
• a: 11.056 ± 0.008 Å
• b: 39.67 ± 0.03 Å
• c: 7.531 ± 0.005 Å
• α: 90°
• β: 97.688 ± 0.009°
• γ: 90°
• Cell volume: 3273 ± 4 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 2
• 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: 0.1128
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1642
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No