Information card for entry 7109386

Structure parameters

• Formula: C23 H24 O2
• Calculated formula: C23 H24 O2
• SMILES: C1C[C@H]2[C@]3(C1)c1ccccc1[C@@H]1[C@@](C2)(CCO[C@H]1c1ccccc1)O3.C1C[C@@H]2[C@@]3(C1)c1ccccc1[C@H]1[C@](C2)(CCO[C@@H]1c1ccccc1)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: 23.5957 ± 0.0018 Å
• b: 9.4893 ± 0.0006 Å
• c: 7.7521 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1735.7 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1273
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 0.906
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No