Information card for entry 1547700

Structure parameters

• Formula: C17 H20 F2 O2
• Calculated formula: C17 H20 F2 O2
• SMILES: O1C(c2ccccc2)(CCC1=O)CC1CCC(F)(F)CC1
• Title of publication: Access to Alkyl-Substituted Lactone via Photoredox-Catalyzed Alkylation/Lactonization of Unsaturated Carboxylic Acids.
• Authors of publication: Sha, Wanxing; Ni, Shengyang; Han, Jianlin; Pan, Yi
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 21
• Pages of publication: 5900 - 5903
• a: 9.8218 ± 0.0007 Å
• b: 12.5329 ± 0.0011 Å
• c: 12.4155 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1528.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No