Information card for entry 7104475

Structure parameters

• Formula: C49 H25 Cl2
• Calculated formula: C49 H25 Cl2
• Title of publication: Radiaannulenes: synthesis, electrochemistry, and solid-state structure.
• Authors of publication: Gholami, Mojtaba; Chaur, Manuel N; Wilde, Myron; Ferguson, Michael J; McDonald, Robert; Echegoyen, Luis; Tykwinski, Rik R
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 21
• Pages of publication: 3038 - 3040
• a: 15.983 ± 0.004 Å
• b: 19.88 ± 0.004 Å
• c: 21.062 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6692 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0636
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No