Information card for entry 1543735

Structure parameters

• Formula: C26 H18 O2
• Calculated formula: C26 H18 O2
• SMILES: O=C(c1ccccc1)C(=C)c1ccc(c2c1cccc2)C(=O)c1ccccc1
• Title of publication: Styrene as 4π-Component in Zn(II)-Catalyzed Intermolecular Diels-Alder/Ene Tandem Reaction.
• Authors of publication: Zheng, Min; Wu, Feng; Chen, Kai; Zhu, Shifa
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 15
• Pages of publication: 3554 - 3557
• a: 10.5123 ± 0.0015 Å
• b: 6.9425 ± 0.001 Å
• c: 26.301 ± 0.004 Å
• α: 90°
• β: 98.712 ± 0.003°
• γ: 90°
• Cell volume: 1897.3 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No