Information card for entry 1542369

Structure parameters

• Formula: C25 H15 N O2
• Calculated formula: C25 H15 N O2
• SMILES: O1c2ccccc2c2c(n3ccc4ccccc4c3c2c2ccccc2)C1=O
• Title of publication: Visible-Light-Promoted and Yb(OTf)3-Catalyzed Constructions of Coumarin-Pyrrole-(Iso)quinoline-Fused Pentacycles: Synthesis of Lamellarin Core, Lamellarin D Trimethyl Ether, and Lamellarin H.
• Authors of publication: Manjappa, Kiran B.; Syu, Jia-Ru; Yang, Ding-Yah
• Journal of publication: Organic letters
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 2
• Pages of publication: 332 - 335
• a: 23.3899 ± 0.0008 Å
• b: 6.7857 ± 0.0003 Å
• c: 11.147 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1769.22 ± 0.13 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0759
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1806
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No