Information card for entry 2300198

Structure parameters

• Formula: ?
• Calculated formula: C8 H14 K2 O20
• Title of publication: Helium cryostat synchrotron charge densities determined using a large CCD detector ‒ the upgraded beamline D3 at DESY
• Authors of publication: Morgenroth, Wolfgang; Overgaard, Jacob; Clausen, Henrik F.; Svendsen, Helle; Jørgensen, Mads R. V.; Larsen, Finn K.; Iversen, Bo B.
• Journal of publication: Journal of Applied Crystallography
• Year of publication: 2008
• Journal volume: 41
• Journal issue: 5
• Pages of publication: 846 - 853
• a: 6.217 ± 0.001 Å
• b: 6.985 ± 0.001 Å
• c: 10.506 ± 0.001 Å
• α: 94.686°
• β: 100.568 ± 0.002°
• γ: 98.884°
• Cell volume: 440.26 ± 0.1 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections included in the refinement: 0.033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.293
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No