Information card for entry 4101123

Structure parameters

• Formula: C12 H4 O4
• Calculated formula: C12 H4 O4
• SMILES: O=C1C(=O)c2c3CC(=O)c3c3C(=O)Cc3c12
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 10.0583 ± 0.0003 Å
• b: 5.8983 ± 0.0002 Å
• c: 15.2143 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 902.62 ± 0.05 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No