Information card for entry 7241012

Structure parameters

• Formula: C26 H17 N O
• Calculated formula: C26 H17 N O
• Title of publication: Direct access to multi-functionalized benzenes via [4 + 2] annulation of α-cyano-β-methylenones and α,β-unsaturated aldehydes
• Authors of publication: Jia, Qianfa; Lan, Yunfei; Ye, Xin; Lin, Yinhe; Ren, Qiao
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 49
• Pages of publication: 29171 - 29174
• a: 12.10003 ± 0.00014 Å
• b: 12.07847 ± 0.00016 Å
• c: 26.6169 ± 0.0003 Å
• α: 90°
• β: 94.3409 ± 0.001°
• γ: 90°
• Cell volume: 3878.9 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0643
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No