Information card for entry 7225756

Structure parameters

• Formula: C26 H16 O2
• Calculated formula: C26 H16 O2
• SMILES: C1(c2ccccc2c2ccccc12)(c1cccc2c1C(=O)c1ccccc21)O
• Title of publication: Functionalization of pyridyl ketones using deprotolithiation-in situ zincation
• Authors of publication: HEDIDI, Madani; Erb, William; LASSAGNE, Frederic; Halauko, Yury; Ivashkevich, Oleg A.; Matulis, Vadim E.; Roisnel, Thierry; Bentabed-Ababsa, Ghenia; Mongin, Florence
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.1791 ± 0.0003 Å
• b: 15.133 ± 0.0009 Å
• c: 14.8514 ± 0.001 Å
• α: 90°
• β: 100.614 ± 0.002°
• γ: 90°
• Cell volume: 1806.77 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.0805
• Residual factor for significantly intense reflections: 0.0541
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No