Information card for entry 7154104

Structure parameters

• Formula: C18 H18 O4
• Calculated formula: C18 H18 O4
• SMILES: c1(C(=O)C2=C(C)C(=C(C)\O)\C(=C2)C(=O)OCC)ccccc1
• Title of publication: Synthesis of functionalized fulvenes: [3 + 2] annulation of ethyl α-chlorocyclopropaneformates with 1,3-dicarbonyl compounds.
• Authors of publication: Zhu, Yuequan; Zhang, Min; Yuan, Hongling; Gong, Yuefa
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 44
• Pages of publication: 8828 - 8831
• a: 29.664 ± 0.009 Å
• b: 6.1441 ± 0.0019 Å
• c: 19.888 ± 0.006 Å
• α: 90°
• β: 121.936 ± 0.004°
• γ: 90°
• Cell volume: 3076.1 ± 1.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0817
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No