Information card for entry 7109387

Structure parameters

• Formula: C22 H22 O2
• Calculated formula: C22 H22 O2
• SMILES: C1C[C@]23[C@@H](C1)C[C@]1([C@H](c4c2cccc4)[C@@H](c2ccccc2)OC1)O3.C1C[C@@]23[C@H](C1)C[C@@]1([C@@H](c4c2cccc4)[C@H](c2ccccc2)OC1)O3
• Title of publication: 1,3-Dipolar cycloaddition of 4-platinumisochromenyliums with an olefin and tandem insertion into benzylic C-H bonds
• Authors of publication: Ji Hee Kim; Devalina Ray; Chang Seop Hong; Jin Wook Hana; Chang Ho Oh
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 5690
• a: 18.1523 ± 0.0018 Å
• b: 18.4758 ± 0.0019 Å
• c: 9.9808 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3347.3 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1521
• Weighted residual factors for all reflections included in the refinement: 0.181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No