Information card for entry 7229315

Structure parameters

• Formula: C21 H20 N2 O8
• Calculated formula: C21 H20 N2 O8
• Title of publication: Trichodermamides D–F, heterocyclic dipeptides with a highly functionalized 1,2-oxazadecaline core isolated from the endophytic fungus Penicillium janthinellum HDN13-309
• Authors of publication: Zhu, Meilin; Yang, Zhen; Feng, Huimin; Gan, Qi; Che, Qian; Zhu, Tianjiao; Gu, Qianqun; Han, Bingnan; Li, Dehai
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 76
• Pages of publication: 48019
• a: 18.7697 ± 0.0004 Å
• b: 4.8938 ± 0.0001 Å
• c: 22.9053 ± 0.0005 Å
• α: 90°
• β: 92.86 ± 0.002°
• γ: 90°
• Cell volume: 2101.35 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0475
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1267
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No