Information card for entry 1518611

Structure parameters

• Formula: C24 H16
• Calculated formula: C24 H16
• SMILES: c1(cccc2c3ccccc3c3ccccc3c12)c1ccccc1
• Title of publication: C‒H arylation of triphenylene, naphthalene and related arenes using Pd/C
• Authors of publication: Collins, Karl D.; Honeker, Roman; Vásquez-Céspedes, Suhelen; Tang, Dan-Tam D.; Glorius, Frank
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 1816
• a: 19.1157 ± 0.0009 Å
• b: 5.7556 ± 0.0003 Å
• c: 29.6669 ± 0.0011 Å
• α: 90°
• β: 108.002 ± 0.003°
• γ: 90°
• Cell volume: 3104.2 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.0792
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1229
• Weighted residual factors for all reflections included in the refinement: 0.1448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No