Information card for entry 1508863

Structure parameters

• Formula: C24 H24 O4
• Calculated formula: C24 H24 O4
• SMILES: C1CC(=C[C@H]([C@]1(/C=C/c1ccccc1)C(=O)OC)c1ccccc1)C(=O)OC.C1CC(=C[C@@H]([C@@]1(/C=C/c1ccccc1)C(=O)OC)c1ccccc1)C(=O)OC
• Title of publication: Enantioselective Synthesis of 2-Arylbicyclo[1.1.0]butane Carboxylates.
• Authors of publication: Qin, Changming; Davies, Huw M. L.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 2
• Pages of publication: 310 - 313
• a: 9.2295 ± 0.0003 Å
• b: 10.3951 ± 0.0004 Å
• c: 11.3783 ± 0.0005 Å
• α: 86.591 ± 0.002°
• β: 69.851 ± 0.002°
• γ: 79.622 ± 0.002°
• Cell volume: 1008.07 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1686
• Residual factor for significantly intense reflections: 0.1114
• Weighted residual factors for significantly intense reflections: 0.2482
• Weighted residual factors for all reflections included in the refinement: 0.3947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No