Information card for entry 7154427

Structure parameters

• Formula: C25 H17 Cl O3
• Calculated formula: C25 H17 Cl O3
• SMILES: Clc1cccc([C@@H]2[C@@H](C(=O)OC3=C2C(=O)c2c3cccc2)Cc2ccccc2)c1
• Title of publication: Enantioselective N-heterocyclic carbene-catalyzed synthesis of indenopyrones.
• Authors of publication: Chen, Kun-Quan; Zhang, Han-Ming; Wang, Dong-Ling; Sun, De-Qun; Ye, Song
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 24
• Pages of publication: 6694 - 6697
• a: 5.8099 ± 0.001 Å
• b: 21.073 ± 0.004 Å
• c: 32.234 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3946.5 ± 1.2 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 4
• 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: 0.0508
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1
• 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