Information card for entry 1542368

Structure parameters

• Formula: C19 H12 N2 O4
• Calculated formula: C19 H12 N2 O4
• SMILES: o1c2ccccc2c(c(N(=O)=O)c1=O)Cc1nc2c(cc1)cccc2
• 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: 7.1803 ± 0.0005 Å
• b: 8.0598 ± 0.0006 Å
• c: 13.9214 ± 0.001 Å
• α: 98.659 ± 0.006°
• β: 92.733 ± 0.006°
• γ: 108.798 ± 0.007°
• Cell volume: 750 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.123
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No