Information card for entry 1553179

Structure parameters

• Formula: C26 H18
• Calculated formula: C26 H18
• SMILES: c12ccccc1cc1ccccc1c2c1ccc(cc1)c1ccccc1
• Title of publication: Pincer CNC bis-N-heterocyclic carbenes: robust ligands for palladium-catalysed Suzuki‒Miyaura arylation of bromoanthracene and related substrates
• Authors of publication: Zende, V. M.; Schulzke, C.; Kapdi, A. R.
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 10
• Pages of publication: 1397
• a: 10.441 ± 0.002 Å
• b: 7.4965 ± 0.0015 Å
• c: 22.577 ± 0.005 Å
• α: 90°
• β: 94.06 ± 0.03°
• γ: 90°
• Cell volume: 1762.7 ± 0.6 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0821
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No