Information card for entry 7151802

Structure parameters

• Formula: C25 H15 N O2
• Calculated formula: C25 H15 N O2
• SMILES: N#CC1=Cc2c(=O)c3ccccc3oc2C(c2c1cccc2)c1ccccc1
• Title of publication: Synthesis of novel functional polycyclic chromones through Michael addition and double cyclizations.
• Authors of publication: Liu, Yang; Huang, Liping; Xie, Fuchun; Chen, Xuxing; Hu, Youhong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 2680 - 2684
• a: 12.6312 ± 0.0012 Å
• b: 12.1657 ± 0.0012 Å
• c: 12.2949 ± 0.0012 Å
• α: 90°
• β: 109.24 ± 0.002°
• γ: 90°
• Cell volume: 1783.8 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1443
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No