Information card for entry 8100474

Structure parameters

• Formula: C41 H33 N O6
• Calculated formula: C41 H33 N O6
• SMILES: n1(c(c2c(c1c1ccccc1)C1c3c(C2c2ccccc12)cccc3)c1ccccc1)c1cc(cc(c1)C(=O)O)C(=O)O.O.O=C(C)C
• Title of publication: Crystal structure of N-(3,5-benzenedicarboxy)-2,5-phenyl-3,4-(9,10- dihydroanthracen-diyl)-pyrrole — acetone — hydrate (1:1:1), C~38~H~25~NO~4~ · C~3~H~6~O · H~2~O
• Authors of publication: Uytterhoeven, Koen; Van Meervelt, Luc; Smet, Mario; Dehaen, Wim
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2003
• Journal volume: 218
• Journal issue: 4
• Pages of publication: 485 - 487
• a: 9.61 ± 0.003 Å
• b: 12.877 ± 0.003 Å
• c: 15.138 ± 0.004 Å
• α: 109.29 ± 0.02°
• β: 105.16 ± 0.02°
• γ: 94.24 ± 0.02°
• Cell volume: 1680 ± 0.9 ų
• Cell temperature: 289 ± 2 K
• Ambient diffraction temperature: 289 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No