Information card for entry 1556183

Structure parameters

• Formula: C20 H32 O5
• Calculated formula: C20 H32 O5
• SMILES: [C@@H]12C[C@@H](C([C@]1([C@@H](C[C@@]13[C@H](C2=C)CC[C@@](C1)(C(=O)C3)C)O)O)(C)C)O.O
• Title of publication: Micranthanone A, a new diterpene with an unprecedented carbon skeleton from Rhododendron micranthum.
• Authors of publication: Zhang, Mengke; Zhu, Yan; Zhan, Guanqun; Shu, Penghua; Sa, Rongjian; Lei, Liang; Xiang, Ming; Xue, Yongbo; Luo, Zengwei; Wan, Qian; Yao, Guangmin; Zhang, Yonghui
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 12
• Pages of publication: 3094 - 3097
• a: 9.653 ± 0.0005 Å
• b: 9.653 ± 0.0005 Å
• c: 40.391 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3763.6 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1553
• Weighted residual factors for all reflections included in the refinement: 0.2052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.193
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No