Information card for entry 2014580

Structure parameters

• Common name: Swertisin dihydrate
• Chemical name: 6-C-glucopyranosyl-7-O-methylapigenin dihydrate
• Formula: C22 H26 O12
• Calculated formula: C22 H26 O12
• Title of publication: Swertisin dihydrate
• Authors of publication: Ohba, Shigeru; Yoshida, Kumi; Kondo, Tadao
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o893 - o896
• a: 12.95 ± 0.003 Å
• b: 8.036 ± 0.003 Å
• c: 20.436 ± 0.006 Å
• α: 90°
• β: 90.14 ± 0.02°
• γ: 90°
• Cell volume: 2126.7 ± 1.1 ų
• Cell temperature: 296 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes