Information card for entry 7125823

Structure parameters

• Formula: C23 H17 N O3
• Calculated formula: C23 H17 N O3
• Title of publication: Metal-free [3+3] benzannulation of 1-indanylidene-malononitrile with Morita-Baylis-Hillman carbonates: direct access to functionalized fluorene and fluorenone derivatives.
• Authors of publication: Xie, Ya-Sa; Huang, Run-Feng; Li, Ran; Zhang, Chuan-Bao; Fu, Ji-Ya; Zhao, Li-Li; Yuan, Jin-Fang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 13
• Pages of publication: 1948 - 1951
• a: 13.0762 ± 0.0014 Å
• b: 6.6583 ± 0.0007 Å
• c: 21.175 ± 0.002 Å
• α: 90°
• β: 106.715 ± 0.002°
• γ: 90°
• Cell volume: 1765.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0693
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1326
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No