Information card for entry 2000548

Structure parameters

• Formula: C22 H32 O6
• Calculated formula: C22 H32 O6
• SMILES: CC(=O)O[C@H]1[C@@H]2[C@](C)(CC[C@H](C2(C)C)O)[C@@H]2[C@]3([C@@H]1O)C[C@@H](C(=C)C3=O)C[C@H]2O
• Title of publication: Structure of xindongnin B
• Authors of publication: Wang, J.-L.; Zhang, L.-J.; Miao, F.-M.; Sun, H.-D.; Gong, Y.-H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 10
• Pages of publication: 1853 - 1855
• a: 6.739 ± 0.005 Å
• b: 16.963 ± 0.006 Å
• c: 17.094 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1954.1 ± 1.7 ų
• Number of distinct elements: 3
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Diffraction radiation wavelength: 1.541 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No