Information card for entry 1502793

Structure parameters

• Formula: C20 H30 O3
• Calculated formula: C20 H30 O3
• SMILES: O=C1O[C@@]2(C=C[C@@](CCC=C(CCC=C1CC2)C)(O)C)C(C)C.O=C1O[C@]2(C=C[C@](CCC=C(CCC=C1CC2)C)(O)C)C(C)C
• Title of publication: Lactonecembranoids from Croton laevigatus.
• Authors of publication: Zou, Guo-An; Ding, Gang; Su, Zhi-Heng; Yang, Jun-Shan; Zhang, Hone-Wu; Peng, Chao-Zhong; Aisa, Haiji Akber; Zou, Zhong-Mei
• Journal of publication: Journal of natural products
• Year of publication: 2010
• Journal volume: 73
• Journal issue: 4
• Pages of publication: 792 - 795
• a: 23.345 ± 0.005 Å
• b: 10.44 ± 0.002 Å
• c: 17.519 ± 0.004 Å
• α: 90°
• β: 123.19 ± 0.03°
• γ: 90°
• Cell volume: 3573.2 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1425
• Weighted residual factors for all reflections included in the refinement: 0.1459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No