Information card for entry 8100840

Structure parameters

• Formula: C16 H9 N O4
• Calculated formula: C16 H9 N O4
• SMILES: O=C1C(=O)C(=n2ccc(cc2)C(=O)c2ccccc2)C1=O
• Title of publication: Crystal structure of 4-benzoylpyridinium-1-squarate, C~16~H~9~NO~4~
• Authors of publication: Kolev, Tsonko; Yancheva, Denitsa; Kleb, D.-Chr.; Schürmann, Markus; Preut, Hans; Bleckmann, Paul
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 1
• Pages of publication: 65 - 66
• a: 14.6707 ± 0.0014 Å
• b: 8.1155 ± 0.0009 Å
• c: 10.494 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1249.4 ± 0.2 ų
• Cell temperature: 291 ± 1 K
• Ambient diffraction temperature: 291 ± 1 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No