Information card for entry 1503000

Structure parameters

• Formula: C25 H24 O2
• Calculated formula: C25 H24 O2
• SMILES: O1c2ccccc2C=C(C1(c1ccccc1)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: 9.4459 ± 0.0009 Å
• b: 11.0752 ± 0.001 Å
• c: 18.8988 ± 0.0018 Å
• α: 90°
• β: 100.572 ± 0.002°
• γ: 90°
• Cell volume: 1943.5 ± 0.3 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: 0.0645
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1271
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No