Information card for entry 7121065

Structure parameters

• Formula: C15 H16 O5
• Calculated formula: C15 H16 O5
• SMILES: O=C1[C@@H]2CO[C@H]3OC(=O)C[C@@]23C2=C1CC(CC2=O)(C)C.O=C1[C@H]2CO[C@@H]3OC(=O)C[C@]23C2=C1CC(CC2=O)(C)C
• Title of publication: Total synthesis of conosilane A via a site-selective C-H functionalization strategy.
• Authors of publication: Yuan, Ziyun; Hu, Xiaojun; Zhang, Hao; Liu, Lin; Chen, Peng; He, Min; Xie, Xingang; Wang, Xiaolei; She, Xuegong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 912 - 915
• a: 10.057 ± 0.002 Å
• b: 11.481 ± 0.0018 Å
• c: 12.6213 ± 0.0012 Å
• α: 87.52 ± 0.011°
• β: 68.565 ± 0.015°
• γ: 88.715 ± 0.016°
• Cell volume: 1355.2 ± 0.4 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.24
• Residual factor for significantly intense reflections: 0.0862
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.2114
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No