Information card for entry 1518390

Structure parameters

• Formula: C10 H12 O
• Calculated formula: C10 H12 O
• SMILES: O=C1C(=CC/C1=C\C(=C)C)C
• Title of publication: Silver(I)-catalyzed ring-contractive rearrangement: a new entry to 5-alkylidene-2-cyclopentenones.
• Authors of publication: Zhao, Liang; Wang, Jinlian; Zheng, Hongyan; Li, Yun; Yang, Ke; Cheng, Bin; Jin, Xiaojie; Yao, Xiaojun; Zhai, Hongbin
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 24
• Pages of publication: 6378 - 6381
• a: 6.47 ± 0.0012 Å
• b: 7.714 ± 0.003 Å
• c: 9.5819 ± 0.0017 Å
• α: 94.92 ± 0.02°
• β: 98.689 ± 0.015°
• γ: 110.41 ± 0.02°
• Cell volume: 438.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No