Information card for entry 4135114

Structure parameters

• Formula: C18 Br6
• Calculated formula: C18 Br6
• Title of publication: Synthesis of Cyclo[18]carbon via Debromination of C₁₈Br₆.
• Authors of publication: Scriven, Lorel M.; Kaiser, Katharina; Schulz, Fabian; Sterling, Alistair J.; Woltering, Steffen L.; Gawel, Przemyslaw; Christensen, Kirsten E.; Anderson, Harry L.; Gross, Leo
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 30
• Pages of publication: 12921 - 12924
• a: 21.6885 ± 0.0016 Å
• b: 13.647 ± 0.004 Å
• c: 12.5084 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3702.3 ± 1.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 2
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.2032
• Residual factor for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections: 0.372
• Weighted residual factors for significantly intense reflections: 0.2958
• Weighted residual factors for all reflections included in the refinement: 0.372
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9687
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No