Information card for entry 4514620

Structure parameters

• Formula: C21 H25 B O2
• Calculated formula: C21 H25 B O2
• SMILES: [C@H]1(C[C@H](c2ccccc12)B1OC(C(C)(C)O1)(C)C)c1ccccc1.[C@@H]1(C[C@@H](c2ccccc12)B1OC(C(C)(C)O1)(C)C)c1ccccc1
• Title of publication: Remote, Diastereoselective Cobalt-Catalyzed Alkene Isomerization‒Hydroboration: Access to Stereodefined 1,3-Difunctionalized Indanes
• Authors of publication: Léonard, Nadia G.; Palmer, W. Neil; Friedfeld, Max R.; Bezdek, Máté J.; Chirik, Paul J.
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 9034
• a: 10.2291 ± 0.0006 Å
• b: 13.3412 ± 0.0007 Å
• c: 13.527 ± 0.0007 Å
• α: 87.464 ± 0.002°
• β: 88.582 ± 0.002°
• γ: 80.599 ± 0.002°
• Cell volume: 1819.14 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No