Information card for entry 1504976

Structure parameters

• Formula: C18 H16 O4
• Calculated formula: C18 H16 O4
• SMILES: O=C(OC)C(C1=Cc2c3ccccc3ccc2C1)C(=O)OC
• Title of publication: Lewis acid catalyzed ring-opening intramolecular Friedel-Crafts alkylation of methylenecyclopropane 1,1-diesters.
• Authors of publication: Hu, Bao; Xing, Siyang; Wang, Zhongwen
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 23
• Pages of publication: 5481 - 5484
• a: 7.9159 ± 0.0016 Å
• b: 6.2842 ± 0.0013 Å
• c: 14.983 ± 0.003 Å
• α: 90°
• β: 93.66 ± 0.03°
• γ: 90°
• Cell volume: 743.8 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0423
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No