Information card for entry 4100901

Structure parameters

• Formula: C46 H46 N4
• Calculated formula: C46 H46 N4
• SMILES: N1c2c(c(c(Nc3ccc(cc3)Cc3ccc(N=C4C(=C(C(=Nc5ccc(cc5)Cc5ccc1cc5)C(=C4C)C)C)C)cc3)c(c2C)C)C)C
• Title of publication: Supplementary Information of X-ray Crystal Analysis of HDM4
• Authors of publication: Kimihisa Yamamoto
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 23.641 ± 0.012 Å
• b: 7.22 ± 0.003 Å
• c: 41.687 ± 0.019 Å
• α: 90°
• β: 91.97 ± 0.03°
• γ: 90°
• Cell volume: 7111 ± 6 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No