Information card for entry 4020327

Structure parameters

• Formula: C29 H17 N5 O
• Calculated formula: C29 H17 N5 O
• SMILES: O=C(N[C@@H](c1ccccc1)C)c1cc2C(=C(C#N)C#N)c3ccccc3C(=C(C#N)C#N)c2cc1
• Authors of publication: Takanori Suzuki; Koji Ichioka; Hiroki Higuchi; Hidetoshi Kawai; Kenshu Fujiwara; Masakazu Ohkita; Takashi Tsuji; Yasutake Takahashi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 5592 - 5598
• a: 13.346 ± 0.002 Å
• b: 9.489 ± 0.002 Å
• c: 36.686 ± 0.007 Å
• α: 89°
• β: 89°
• γ: 90°
• Cell volume: 4645 ± 1 ų
• Cell temperature: 123.2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No