Information card for entry 4109303

Structure parameters

• Formula: C19 H23 N O5
• Calculated formula: C19 H23 N O5
• SMILES: O1[C@@]2(C(=C([C@]1(C=C2)C)C(=O)[O-])C(=O)OC)C.[NH3+][C@@H](C)c1ccccc1
• Title of publication: Total Synthesis of Dimeric Pyrrole-Imidazole Alkaloids: Sceptrin, Ageliferin, Nagelamide E, Oxysceptrin, Nakamuric Acid, and the Axinellamine Carbon Skeleton
• Authors of publication: Daniel P. O'Malley; Ke Li; Michael Maue; Alexandros L. Zografos; Phil S. Baran
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 4762 - 4775
• a: 6.3059 ± 0.0013 Å
• b: 13.827 ± 0.003 Å
• c: 21.217 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1849.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No