Information card for entry 1551011

Structure parameters

• Formula: C28 H20 O2
• Calculated formula: C28 H20 O2
• SMILES: O=C(OC)c1ccccc1C12c3ccccc3C(c3c1cccc3)c1ccccc21
• Title of publication: Organocopper Cross-coupling Reaction for C‒C Bond Formation on Highly Sterically Hindered Structures
• Authors of publication: Oi, Miku; TAKITA, Ryo; Kanazawa, Junichiro; Muranaka, Atsuya; Wang, Chao; Uchiyama, Masanobu
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 9.3566 ± 0.0006 Å
• b: 9.3566 ± 0.0006 Å
• c: 19.436 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1473.6 ± 0.2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 3
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No