Information card for entry 7157492

Structure parameters

• Formula: C25 H17 Cl O4
• Calculated formula: C25 H17 Cl O4
• Title of publication: Enantioselective synthesis of indanone spiro-isochromanone derivatives via a dinuclear zinc-catalyzed Michael/transesterification tandem reaction.
• Authors of publication: Yang, Xiao-Chao; Xu, Meng; Wang, Jin-Bao; Liu, Meng-Meng; Mathey, François; Hua, Yuan-Zhao; Wang, Min-Can
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 20
• Pages of publication: 3917 - 3926
• a: 17.9619 ± 0.0004 Å
• b: 9.8922 ± 0.0002 Å
• c: 22.6104 ± 0.0005 Å
• α: 90°
• β: 96.832 ± 0.002°
• γ: 90°
• Cell volume: 3988.95 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No