Information card for entry 4032393

Structure parameters

• Formula: C21 H24 O7
• Calculated formula: C21 H24 O7
• SMILES: O(C)C1=CC2=C[C@H]3[C@@]([C@@H]4CC[C@]([C@H](C(=O)O1)[C@@]24OC3=O)(C)C=C)(C)C(=O)OC.O(C)C1=CC2=C[C@@H]3[C@]([C@H]4CC[C@@]([C@@H](C(=O)O1)[C@]24OC3=O)(C)C=C)(C)C(=O)OC
• 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: 21.533 ± 0.004 Å
• b: 30.738 ± 0.006 Å
• c: 11.627 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7696 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0487
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.0798
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No