Information card for entry 2003074

Structure parameters

• Formula: C41 H42 O34
• Calculated formula: C41 H29 O34
• Title of publication: Structure of the Tannin Geraniin Based on Conventional X-ray Data at 295 K and on Synchrotron Data at 293 and 120 K
• Authors of publication: Luger, Peter; Weber, Manuela; Kashino,Setsuo; Amakura, Yoshiaki; Yoshida, Takashi; Okuda, Takuo; Beurskens, Gezina; Dauter, Zbigniew
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 687 - 694
• a: 13.055 ± 0.002 Å
• b: 29.139 ± 0.004 Å
• c: 11.576 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4403.6 ± 1 ų
• Cell temperature: 295 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.064
• Goodness-of-fit parameter for significantly intense reflections: 1.25
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No