Information card for entry 8100749

Structure parameters

• Formula: C16 H10 N4 O2
• Calculated formula: C16 H10 N4 O2
• SMILES: O=C1NC(=C2C1=C(NC2=O)c1ccncc1)c1ccncc1
• Title of publication: Crystal structure of 3,6-bis(4'-pyridyl)-pyrrolo[3,4-c]pyrrole-1,4- dione, C~16~H~10~N~4~O~2~, at 93 K
• Authors of publication: Mizuguchi, Jin; Takahashi, Hiroo; Yamakami, Hideki
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 4
• Pages of publication: 519 - 520
• a: 3.6951 ± 0.0007 Å
• b: 18.201 ± 0.002 Å
• c: 18.456 ± 0.002 Å
• α: 90°
• β: 94.68 ± 0.01°
• γ: 90°
• Cell volume: 1237.1 ± 0.3 ų
• Cell temperature: 93.2 K
• Number of distinct elements: 4
• 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