Information card for entry 1516524

Structure parameters

• Chemical name: (R)-3'-phenyl-10,11-dihydro-3'H-spiro[dibenzo[a,d][7]annulene-5,2'-furan]-5'(4'H)-one
• Formula: C24 H20 O2
• Calculated formula: C24 H20 O2
• SMILES: O1C(=O)C[C@H](C21c1ccccc1CCc1ccccc21)c1ccccc1
• Title of publication: Electroreductive Coupling of Optically Active α,β-Unsaturated Carbonyl Compounds with Diaryl Ketones: Asymmetric Synthesis of 4,5,5-Trisubstituted γ-Butyrolactones.
• Authors of publication: Kise, Naoki; Hamada, Yusuke; Sakurai, Toshihiko
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 12
• Pages of publication: 3348 - 3351
• a: 8.9315 ± 0.0015 Å
• b: 9.1942 ± 0.0012 Å
• c: 21.867 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1795.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.062
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No