Information card for entry 7104474

Structure parameters

• Formula: C48 H28
• Calculated formula: C48 H28
• SMILES: C1#Cc2ccccc2C#CC(=C(c2ccccc2)c2ccccc2)C#Cc2ccccc2C#CC1=C(c1ccccc1)c1ccccc1
• 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: 6.7217 ± 0.0009 Å
• b: 30.219 ± 0.004 Å
• c: 8.2151 ± 0.0011 Å
• α: 90°
• β: 101.073 ± 0.002°
• γ: 90°
• Cell volume: 1637.6 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.066
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No