Information card for entry 1545758

Structure parameters

• Formula: C25 H20.5 Cl2.5 N O2
• Calculated formula: C25 H20.5 Cl2.5 N O2
• SMILES: ClC(Cl)Cl.ClCCl.OC12N(CCc3ccccc13)C(=O)C(=C2c1ccccc1)c1ccccc1
• Title of publication: Acid-Mediated Intermolecular [3 + 2] Cycloaddition toward Pyrrolo[2,1-a]isoquinolines: Total Synthesis of the Lamellarin Core and Lamellarin G Trimethyl Ether.
• Authors of publication: Zheng, Kai-Lu; You, Min-Qi; Shu, Wen-Ming; Wu, Yan-Dong; Wu, An-Xin
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 9
• Pages of publication: 2262 - 2265
• a: 13.7789 ± 0.0019 Å
• b: 14.858 ± 0.002 Å
• c: 22.728 ± 0.003 Å
• α: 90°
• β: 98.14 ± 0.002°
• γ: 90°
• Cell volume: 4606.2 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0938
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1974
• Weighted residual factors for all reflections included in the refinement: 0.2268
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No