Information card for entry 1517890

Structure parameters

• Formula: C15 H24 N0 O3
• Calculated formula: C15 H24 O3
• SMILES: O=C1C[C@](O)([C@@H]2[C@](O)(CC1=C(C)C)[C@@H](C)CC2)C
• Title of publication: iNOS Inhibitory Activity of Sesquiterpenoids and a Monoterpenoid from the Rhizomes of Curcuma wenyujin.
• Authors of publication: Yin, Guo-Ping; Li, Liang-Chun; Zhang, Qing-Zhe; An, Yue-Wei; Zhu, Jing-Jing; Wang, Zhi-Min; Chou, Gui-Xin; Wang, Zheng-Tao
• Journal of publication: Journal of natural products
• Year of publication: 2014
• Journal volume: 77
• Journal issue: 10
• Pages of publication: 2161 - 2169
• a: 10.369 ± 0.007 Å
• b: 5.883 ± 0.009 Å
• c: 12.35 ± 0.008 Å
• α: 90°
• β: 102.52 ± 0.01°
• γ: 90°
• Cell volume: 735.4 ± 1.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0569
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No