Information card for entry 7118828

Structure parameters

• Formula: C18 H18
• Calculated formula: C18 H18
• Title of publication: [18]Annulene put into a new perspective.
• Authors of publication: Lungerich, Dominik; Nizovtsev, Alexey V.; Heinemann, Frank W.; Hampel, Frank; Meyer, Karsten; Majetich, George; Schleyer, Paul V. R.; Jux, Norbert
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 25
• Pages of publication: 4710 - 4713
• a: 10.23 ± 0.004 Å
• b: 4.7903 ± 0.0017 Å
• c: 14.674 ± 0.005 Å
• α: 90°
• β: 108.855 ± 0.008°
• γ: 90°
• Cell volume: 680.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No