Information card for entry 2012548

Structure parameters

• Common name: ginkgolide C sesquihydrate
• Chemical name: (1S,2R,3S,3aS,4R,6aR,7aR,7bR,8S,10aS,11S,11aR) 3-(1,1-dimethylethyl) hexahydro-2,4,7b,11-tetrahydroxy-8-methyl-9H-1,7a-(epoxymethano)-1H,6aH- cyclopenta[c]furo[2,3b]furo[3',2':3,4]cyclopenta[1,2-d]furan-5,9,12 (4H)-trione sesquihydrate
• Formula: C20 H27 O12.5
• Calculated formula: C20 H24 O12.5
• Title of publication: Three ginkgolide hydrates from <i>Ginkgo biloba</i> L.: ginkgolide A monohydrate, ginkgolide C sesquihydrate and ginkgolide J dihydrate, all determined at 120K
• Authors of publication: Jianping, Zhao; Muhammad, Ilias; Dunbar, D. Chuck; Khan, Ikhlas A.; Fischer, Nikolaus H.; Fronczek, Frank R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o195 - o198
• a: 7.4945 ± 0.0015 Å
• b: 12.973 ± 0.003 Å
• c: 20.934 ± 0.004 Å
• α: 90°
• β: 91 ± 0.02°
• γ: 90°
• Cell volume: 2035 ± 0.7 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes