Information card for entry 1548283

Structure parameters

• Formula: C50 H60 N2 O6
• Calculated formula: C50 H60 N2 O6
• Title of publication: Total Synthesis of the Marine Alkaloid Discoipyrrole C via the MoOPH-Mediated Oxidation of a 2,3,5-Trisubstituted Pyrrole.
• Authors of publication: Yan, Qiao; Ma, Xiang; Banwell, Martin G.; Ward, Jas S.
• Journal of publication: Journal of natural products
• Year of publication: 2017
• Journal volume: 80
• Journal issue: 12
• Pages of publication: 3305 - 3313
• a: 19.2834 ± 0.0019 Å
• b: 10.8405 ± 0.0009 Å
• c: 24.0533 ± 0.0013 Å
• α: 90°
• β: 90.22 ± 0.007°
• γ: 90°
• Cell volume: 5028.1 ± 0.7 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1692
• Residual factor for significantly intense reflections: 0.1138
• Weighted residual factors for significantly intense reflections: 0.3275
• Weighted residual factors for all reflections included in the refinement: 0.3803
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No