Information card for entry 1512376

Structure parameters

• Formula: C26 H18 O
• Calculated formula: C26 H18 O
• SMILES: c12ccccc1c(co2)/C(=C/c1cc2ccccc2cc1)c1ccccc1
• Title of publication: Pd-Catalyzed Cyclization and Carbene Migratory Insertion: New Approach to 3-Vinylindoles and 3-Vinylbenzofurans.
• Authors of publication: Liu, Zhenxing; Xia, Ying; Zhou, Shiyi; Wang, Long; Zhang, Yan; Wang, Jianbo
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 5032 - 5035
• a: 18.6916 ± 0.0012 Å
• b: 5.7783 ± 0.0005 Å
• c: 33.895 ± 0.002 Å
• α: 90°
• β: 102.828 ± 0.007°
• γ: 90°
• Cell volume: 3569.5 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180.15 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No