Information card for entry 4036150

Structure parameters

• Formula: C26 H21 N O2
• Calculated formula: C26 H21 N O2
• SMILES: O1Cc2c(c(c3ccccc3c2)/C(=N\c2ccc(OC)cc2)c2ccccc2)C1
• Title of publication: Selectfluor-Promoted Sequential Reactions via Allene Intermediates: Metal-Free Construction of Fused Polycyclic Skeletons.
• Authors of publication: Liu, Le; Wang, Jianbo; Zhou, Hongwei
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 9
• Pages of publication: 4749 - 4753
• a: 18.8047 ± 0.0012 Å
• b: 12.8679 ± 0.0009 Å
• c: 18.8388 ± 0.0013 Å
• α: 90°
• β: 99.556 ± 0.007°
• γ: 90°
• Cell volume: 4495.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0995
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.188
• Weighted residual factors for all reflections included in the refinement: 0.2087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No