Information card for entry 1556174

Structure parameters

• Formula: C21 H21 N O2
• Calculated formula: C21 H21 N O2
• Title of publication: Regioselective ruthenium catalyzed hydrohydroxyalkylation of dienes with 3-hydroxy-2-oxindoles: prenylation, geranylation, and beyond.
• Authors of publication: Chen, Te-Yu; Krische, Michael J.
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 12
• Pages of publication: 2994 - 2997
• a: 9.4044 ± 0.0015 Å
• b: 19.072 ± 0.002 Å
• c: 18.984 ± 0.002 Å
• α: 90°
• β: 101.853 ± 0.003°
• γ: 90°
• Cell volume: 3332.4 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1653
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.1457
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No