Information card for entry 8100748

Structure parameters

• Formula: C42 H30 N2 O4
• Calculated formula: C42 H30 N2 O4
• SMILES: O=C1N(C(=O)c2c3c1ccc1c3c(cc2)c2c3c1ccc1c3c(cc2)C(=O)N(C1=O)CCCc1ccccc1)CCCc1ccccc1
• Title of publication: Crystal structure of N,N'-bis(2-phenylpropyl)perylene-3,4:9,10-bis (dicarboximide), C~42~H~30~N~2~O~4~
• Authors of publication: Tojo, Kaoru; Mizuguchi, Jin
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 4
• Pages of publication: 517 - 518
• a: 23.44 ± 0.01 Å
• b: 16.751 ± 0.005 Å
• c: 7.612 ± 0.006 Å
• α: 89°
• β: 97.92 ± 0.08°
• γ: 89°
• Cell volume: 2960 ± 2 ų
• Cell temperature: 223.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No