Information card for entry 8101929

Structure parameters

• Chemical name: kakkalidone
• Formula: C23 H24 O11
• Calculated formula: C23 H24 O11
• Title of publication: Crystal structure of kakkalidone, C~23~H~24~O~11~
• Authors of publication: Zhang, X.-Q.; Zhang, Z.-T.; Zhang, X.-L.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 1
• Pages of publication: 80 - 82
• a: 6.081 ± 0.003 Å
• b: 7.838 ± 0.003 Å
• c: 22.6 ± 0.01 Å
• α: 90°
• β: 92.127 ± 0.007°
• γ: 90°
• Cell volume: 1076.4 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1265
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1844
• Weighted residual factors for all reflections included in the refinement: 0.2258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No