Information card for entry 1512375

Structure parameters

• Formula: C24 H18 Cl N O
• Calculated formula: C24 H18 Cl N O
• SMILES: C(=O)(C)n1c2ccccc2c(c1)/C(=C/c1ccc(cc1)Cl)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: 7.6077 ± 0.0015 Å
• b: 10.2 ± 0.002 Å
• c: 13.805 ± 0.003 Å
• α: 76.12 ± 0.03°
• β: 82.47 ± 0.03°
• γ: 69.23 ± 0.03°
• Cell volume: 971.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1341
• Residual factor for significantly intense reflections: 0.0937
• Weighted residual factors for significantly intense reflections: 0.2379
• Weighted residual factors for all reflections included in the refinement: 0.2685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No