Information card for entry 4020322

Structure parameters

• Formula: C10 H8 O4
• Calculated formula: C10 H8 O4
• SMILES: O=C(C12C3C4C5(C4C2C5C13)C(=O)O)O
• Authors of publication: María Victoria Roux; Juan Z. Dávalos; Pilar Jiménez; Rafael Notario; Obis Castaño; James S. Chickos; William Hanshaw; Hui Zhao; Nigam Rath; Joel F. Liebman; Behzad S. Farivar; A. Bashir-Hashemi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 5461 - 5470
• a: 11.9211 ± 0.0006 Å
• b: 8.406 ± 0.0004 Å
• c: 9.7895 ± 0.0005 Å
• α: 90°
• β: 124.064 ± 0.002°
• γ: 90°
• Cell volume: 812.67 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No