Information card for entry 1502999

Structure parameters

• Formula: C25 H24 O2
• Calculated formula: C25 H24 O2
• SMILES: Oc1ccccc1C1C(=C(c2c1cccc2)c1ccccc1)CCOCC
• Title of publication: Lewis acid catalyzed cycloaddition of methylenecyclopropanes with salicylaldehydes.
• Authors of publication: Jiang, Min; Shi, Min
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 2606 - 2609
• a: 15.829 ± 0.002 Å
• b: 7.502 ± 0.0012 Å
• c: 16.492 ± 0.003 Å
• α: 90°
• β: 95.853 ± 0.003°
• γ: 90°
• Cell volume: 1948.2 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0866
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.1821
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No