Information card for entry 4032394

Structure parameters

• Formula: C17 H22 O4
• Calculated formula: C17 H22 O4
• SMILES: o1c(ccc1)[C@H](O)[C@]12[C@@](CCC=C(C)C)([C@@H]2COC1=O)C.o1c([C@@H](O)[C@@]23[C@](CCC=C(C)C)([C@H]3COC2=O)C)ccc1
• Title of publication: Diastereoselective Total Synthesis of (±)-Basiliolide B and (±)-epi-8-Basiliolide B.
• Authors of publication: Liang, Xuefeng; Zhou, Liyan; Min, Long; Ye, Weijian; Bao, Wenli; Ma, Wenjing; Yang, Qianqian; Qiao, Fangfang; Zhang, Xinhao; Lee, Chi-Sing
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• a: 10.1003 ± 0.0002 Å
• b: 22.3395 ± 0.0004 Å
• c: 13.9474 ± 0.001 Å
• α: 90°
• β: 90.142 ± 0.006°
• γ: 90°
• Cell volume: 3147 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0851
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.1871
• Weighted residual factors for all reflections included in the refinement: 0.2146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No