Information card for entry 1508695

Structure parameters

• Formula: C15 H16 O5
• Calculated formula: C15 H16 O5
• SMILES: O=C1O[C@@H]2OC[C@@H]3[C@]2(C2=C(CC(C)(CC2=O)C)C3=O)C1
• Title of publication: Conosilane A, an unprecedented sesquiterpene from the cultures of basidiomycete Conocybe siliginea.
• Authors of publication: Yang, Xiao-Yan; Feng, Tao; Li, Zheng-Hui; Sheng, Yu; Yin, Xia; Leng, Ying; Liu, Ji-Kai
• Journal of publication: Organic letters
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 20
• Pages of publication: 5382 - 5384
• a: 5.7572 ± 0.0001 Å
• b: 11.6775 ± 0.0002 Å
• c: 19.3379 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1300.08 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• 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: 0.0357
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No