Information card for entry 7228250

Structure parameters

• Formula: C22 H29 N3 O3
• Calculated formula: C22 H29 N3 O3
• SMILES: O=C1N[C@]23C[C@@]4(O)C(=Nc5c4cccc5)C([C@H]3C[C@]31CCCN3C2)(C)C.OC
• Title of publication: Penicimutamides D‒E: two new prenylated indole alkaloids from a mutant of the marine-derived Penicillium purpurogenum G59
• Authors of publication: Wu, Chang-Jing; Li, Chang-Wei; Gao, Hao; Huang, Xiao-Jun; Cui, Cheng-Bin
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 40
• Pages of publication: 24718
• a: 11.841 ± 0.006 Å
• b: 12.064 ± 0.003 Å
• c: 13.693 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1956 ± 1.3 ų
• Cell temperature: 100.6 K
• Ambient diffraction temperature: 100.6 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: 0.0434
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No