Information card for entry 1504971

Structure parameters

• Formula: C16 H24 O8
• Calculated formula: C16 H24 O8
• SMILES: O[C@@]1(C(=O)C[C@@H]([C@@H](C(=O)OC)C1)C(=O)OC)CC(=O)OC(C)(C)C.O[C@]1(C(=O)C[C@H]([C@H](C(=O)OC)C1)C(=O)OC)CC(=O)OC(C)(C)C
• Title of publication: Base-catalyzed Diels-Alder reactions of 2H-pyran-2,5-diones: a mild approach to basiliolide B.
• Authors of publication: Zhou, Xiongfei; Wu, Wanqing; Liu, Xiaozu; Lee, Chi-Sing
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 24
• Pages of publication: 5525 - 5528
• a: 6.0385 ± 0.0003 Å
• b: 11.2413 ± 0.0006 Å
• c: 13.3832 ± 0.0008 Å
• α: 93.881 ± 0.004°
• β: 91.237 ± 0.004°
• γ: 95.11 ± 0.004°
• Cell volume: 902.43 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0641
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No