Information card for entry 4111695

Structure parameters

• Formula: C9 H6 O6
• Calculated formula: C9 H3 O6
• Title of publication: Structural Understanding of a Molecular Material that Is Accessed Only by a Solid-State Desolvation Process: The Scope of Modern Powder X-ray Diffraction Techniques
• Authors of publication: Fang Guo; Kenneth D. M. Harris
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 7314 - 7315
• a: 16.7624 ± 0.0006 Å
• b: 13.6917 ± 0.0006 Å
• c: 11.9969 ± 0.0004 Å
• α: 90°
• β: 106.005 ± 0.0025°
• γ: 90°
• Cell volume: 2646.63 ± 0.18 ų
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No