Information card for entry 7238433

Structure parameters

• Formula: C17 H20 O3
• Calculated formula: C17 H20 O3
• Title of publication: NHC-catalyzed reaction of enals with unactivated enones: substituent effect on the formation of 1 : 1 and 1 : 2 adducts
• Authors of publication: Takaki, Ken; Shiraishi, Kazuhiro; Okinaga, Kosuke; Takahashi, Shintaro; Komeyama, Kimihiro
• Journal of publication: RSC Advances
• Year of publication: 2011
• Journal volume: 1
• Journal issue: 9
• Pages of publication: 1799
• a: 9.3438 ± 0.0006 Å
• b: 17.6011 ± 0.0012 Å
• c: 10.3662 ± 0.0008 Å
• α: 90°
• β: 118.673 ± 0.002°
• γ: 90°
• Cell volume: 1495.78 ± 0.18 ų
• Cell temperature: 200.1 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No