Information card for entry 4037684

Structure parameters

• Formula: C20 H13 N3 O
• Calculated formula: C20 H13 N3 O
• SMILES: n1cc2c(c3ccccc13)cc([nH]2)C(=O)c1c[nH]c2c1cccc2
• Title of publication: Total Syntheses of the 3H-Pyrrolo[2,3-c]quinolone-containing Alkaloids Marinoquinolines A-F, K and Aplidiopsamine A Using a Palladium-catalysed Ullmann Cross-coupling/Reductive Cyclization Pathway.
• Authors of publication: Bolte, Benoit; Bryan, Christopher S.; Sharp, Phillip P.; Sayyahi, Soheil; Rihouey, Charly; Kendrick, Amy; Lan, Ping; Banwell, Martin G.; Jackson, Colin J.; Fraser, Nicholas J.; Willis, Anthony C.; Ward, James S.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• a: 13.4569 ± 0.0002 Å
• b: 6.5269 ± 0.0001 Å
• c: 17.6639 ± 0.0002 Å
• α: 90°
• β: 109.247 ± 0.0016°
• γ: 90°
• Cell volume: 1464.73 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0345
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.0794
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9931
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No