Information card for entry 1567775

Structure parameters

• Formula: C15 H14 O3
• Calculated formula: C15 H14 O3
• SMILES: O1[C@@H]2c3ccccc3[C@@]34CCC[C@]4([C@@H]3[C@H]2O)C1=O
• Title of publication: Asymmetric dearomative cyclopropanation of naphthalenes to construct polycyclic compounds.
• Authors of publication: Guan, Fujun; Zhou, Rong; Ren, Xiaoyu; Guo, Zhen; Wang, Chengming; Zhou, Cong-Ying
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 44
• Pages of publication: 13015 - 13019
• a: 7.7082 ± 0.0003 Å
• b: 12.0888 ± 0.0005 Å
• c: 12.3892 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1154.46 ± 0.08 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0642
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No