Information card for entry 1505351

Structure parameters

• Formula: C12 H13 Cl O
• Calculated formula: C12 H13 Cl O
• Title of publication: Acylation of alkylidenecyclopropanes for the facile synthesis of alpha,beta-unsaturated ketone and benzofulvene derivatives with high stereoselectivity.
• Authors of publication: Huang, Xian; Yang, Yewei
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 1667 - 1670
• a: 11.087 ± 0.002 Å
• b: 13.811 ± 0.003 Å
• c: 14.609 ± 0.003 Å
• α: 90°
• β: 96.23 ± 0.004°
• γ: 90°
• Cell volume: 2223.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.13
• Weighted residual factors for all reflections included in the refinement: 0.1493
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No