Information card for entry 1520757

Structure parameters

• Formula: C24 H20 O3
• Calculated formula: C24 H20 O3
• SMILES: O=C([C@]1(OC(=O)[C@@](C)(c2ccccc2)C1)c1ccccc1)c1ccccc1.O=C([C@@]1(OC(=O)[C@](C)(c2ccccc2)C1)c1ccccc1)c1ccccc1
• Title of publication: Nickel-Catalyzed Addition-Type Alkenylation of Unactivated, Aliphatic C-H Bonds with Alkynes: A Concise Route to Polysubstituted γ-Butyrolactones.
• Authors of publication: Li, Mingliang; Yang, Yudong; Zhou, Danni; Wan, Danyang; You, Jingsong
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 10
• Pages of publication: 2546 - 2549
• a: 17.7328 ± 0.0009 Å
• b: 8.7774 ± 0.0004 Å
• c: 13.0228 ± 0.0007 Å
• α: 90°
• β: 110.419 ± 0.006°
• γ: 90°
• Cell volume: 1899.61 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0622
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No