Information card for entry 4062015

Structure parameters

• Formula: C9 H6 O2
• Calculated formula: C9 H6 O2
• SMILES: C1(=O)OC(=C)c2ccccc12
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 7.7327 ± 0.0008 Å
• b: 13.3949 ± 0.0014 Å
• c: 13.5108 ± 0.0014 Å
• α: 90°
• β: 96.419 ± 0.003°
• γ: 90°
• Cell volume: 1390.7 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No