Information card for entry 1549511

Structure parameters

• Formula: C40 H30
• Calculated formula: C40 H30
• SMILES: c12c3cc(c4c(cccc4)CCc4cc5c1cc(c1ccccc1c1cc(CCc5cc4)ccc1)cc2)ccc3
• Title of publication: Molecular dynamic staircases: all-carbon axial chiral "Geländer" structures.
• Authors of publication: Mannancherry, Rajesh; Rickhaus, Michel; Häussinger, Daniel; Prescimone, Alessandro; Mayor, Marcel
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 26
• Pages of publication: 5758 - 5766
• a: 8.5388 ± 0.0005 Å
• b: 14.2697 ± 0.0008 Å
• c: 22.0284 ± 0.0014 Å
• α: 90°
• β: 94.249 ± 0.003°
• γ: 90°
• Cell volume: 2676.7 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9378
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No