Information card for entry 8101045

Structure parameters

• Formula: C71 H46 N4 O3
• Calculated formula: C71 H46 N4 O3
• SMILES: O1[C@]2(C3c4c(cccc4)C(c4c3cccc4)[C@@]12C1=C(C2c3c(cccc3)C1c1c2cccc1)C#N)C#N.O1[C@@]2(C3c4ccccc4C(c4ccccc34)[C@]12C1=C(C2c3c(cccc3)C1c1c2cccc1)C#N)C#N.C(=O)(C)C
• Title of publication: Crystal structure of 11,12-dicyano-9,10-ethano-9,10-dihydroanthracene— acetone (2/1), (C~34~H~20~N~20~)~2~ · C~3~H~6~O
• Authors of publication: Fruzinski, Andrzej; Karolak-Wojciechowska, Janina; Alibert-Franco, Sandrin; Santelli-Rouvier, Cristian; Barbe, Jaques
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 3
• Pages of publication: 471 - 473
• a: 10.726 ± 0.002 Å
• b: 34.928 ± 0.007 Å
• c: 15.263 ± 0.003 Å
• α: 90°
• β: 108.89 ± 0.03°
• γ: 90°
• Cell volume: 5410.1 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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