Information card for entry 1548285

Structure parameters

• Formula: C22 H25 N O4
• Calculated formula: C22 H25 N O4
• 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: 12.4371 ± 0.0001 Å
• b: 14.4844 ± 0.0001 Å
• c: 22.3921 ± 0.0002 Å
• α: 90°
• β: 98.146 ± 0.001°
• γ: 90°
• Cell volume: 3993.1 ± 0.06 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 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: 0.0443
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No