Information card for entry 1504296

Structure parameters

• Formula: C20 H29 N O3
• Calculated formula: C20 H29 N O3
• SMILES: N1C(=O)C2=C([C@@H]1C=C[C@@](O)(CC[C@@H]1C([C@@H]1C[C@H](C2=O)C)(C)C)C)C
• Title of publication: Jatrophalactam, a novel diterpenoid lactam isolated from Jatropha curcas.
• Authors of publication: Wang, Xia-Chang; Zheng, Zong-Ping; Gan, Xian-Wen; Hu, Li-Hong
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 23
• Pages of publication: 5522 - 5524
• a: 6.872 ± 0.004 Å
• b: 9.187 ± 0.005 Å
• c: 15.595 ± 0.009 Å
• α: 90°
• β: 97.384 ± 0.009°
• γ: 90°
• Cell volume: 976.4 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1238
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No