Information card for entry 7219766

Structure parameters

• Formula: C23 H18 O3
• Calculated formula: C23 H18 O3
• SMILES: O=C(c1ccccc1)[C@@]1(OC(=O)C[C@H]1c1ccccc1)c1ccccc1
• Title of publication: Synthesis of functionalized γ-lactones via a three-component cascade reaction catalyzed by consecutive N-heterocyclic carbene systems
• Authors of publication: Huang, Wei; Zhao, Qian; Han, Bo; Wang, Biao; Leng, Hai-Jun; Peng, Cheng
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 6.7969 ± 0.0003 Å
• b: 14.0639 ± 0.0006 Å
• c: 9.4194 ± 0.0004 Å
• α: 90°
• β: 96.811 ± 0.005°
• γ: 90°
• Cell volume: 894.05 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No