Information card for entry 1547492

Structure parameters

• Formula: C25 H29 N O5
• Calculated formula: C25 H29 N O5
• SMILES: O=C1N[C@@H](c2c1c(O)ccc2CC=C(C)C)c1cc(cc2OC[C@H](Oc12)C(O)(C)C)C.O=C1N[C@H](c2c1c(O)ccc2CC=C(C)C)c1cc(cc2OC[C@H](Oc12)C(O)(C)C)C
• Title of publication: Diaporisoindoles A-C: Three Isoprenylisoindole Alkaloid Derivatives from the Mangrove Endophytic Fungus Diaporthe sp. SYSU-HQ3.
• Authors of publication: Cui, Hui; Lin, Yun; Luo, Mingchu; Lu, Yongjun; Huang, Xishan; She, Zhigang
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 20
• Pages of publication: 5621 - 5624
• a: 19.7299 ± 0.0001 Å
• b: 19.7299 ± 0.0001 Å
• c: 30.7413 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10363.4 ± 0.1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No