Information card for entry 7158514

Structure parameters

• Formula: C17 H12 O3
• Calculated formula: C17 H12 O3
• SMILES: O=C1c2ccccc2[C@]2(C1)C(=O)OCc1c2cccc1
• Title of publication: Rh(III)-Catalyzed C-H bond activation/annulation reactions of arylacyl ammonium salts with 4-diazoisochroman-3-imines and 4-diazoisoquinolin-3-ones.
• Authors of publication: Suleman, Muhammad; Qi, Minghui; Xie, Jianwei; Lu, Ping; Wang, Yanguang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2022
• Journal volume: 20
• Journal issue: 9
• Pages of publication: 1900 - 1906
• a: 11.849 ± 0.004 Å
• b: 8.586 ± 0.003 Å
• c: 12.73 ± 0.005 Å
• α: 90°
• β: 94.872 ± 0.014°
• γ: 90°
• Cell volume: 1290.4 ± 0.8 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 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: 0.082
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.1732
• Weighted residual factors for all reflections included in the refinement: 0.1783
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No