Information card for entry 2211255

Structure parameters

• Common name: IFB-Lactam-1
• Chemical name: 2,15-dihydroxy-7-methyl-6-azabicyclo[11.3.0]hexadec-3-en-5-one
• Formula: C16 H27 N O3
• Calculated formula: C16 H27 N O3
• SMILES: C1(=O)C=C[C@@H]([C@H]2C[C@@H](C[C@@H]2CCCCC[C@@H](C)N1)O)O
• Title of publication: IFB-Lactam-1, a natural compound with anti-Gloeosporium kaki Hori activity
• Authors of publication: Hu, Shen-Cai; Mei, Li; Wang, Ji-Gang; Liu, Chang-Hong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5777 - o5778
• a: 7.4001 ± 0.0009 Å
• b: 12.9986 ± 0.0013 Å
• c: 18.86 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1814.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0947
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.2253
• Weighted residual factors for all reflections included in the refinement: 0.239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes