Information card for entry 4028348

Structure parameters

• Formula: C18 H16 O2
• Calculated formula: C18 H16 O2
• SMILES: O=C(c1ccccc1)[C@@H]1[C@H]([C@@H]1C(=O)C)c1ccccc1
• Title of publication: Asymmetric Organocatalytic Cyclopropanation of Cinnamone Derivatives with Stabilized Sulfonium Ylides
• Authors of publication: Jing Wang; Xiaohua Liu; Shunxi Dong; Lili Lin; Xiaoming Feng
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2013
• Journal volume: 78
• Pages of publication: 6322 - 6327
• a: 7.657 ± 0.0015 Å
• b: 5.566 ± 0.0011 Å
• c: 16.401 ± 0.003 Å
• α: 90°
• β: 99.53 ± 0.03°
• γ: 90°
• Cell volume: 689.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0492
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.276
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No