Information card for entry 7100843

Structure parameters

• Formula: C37 H26 N4 O2
• Calculated formula: C37 H26 N4 O2
• SMILES: O=C1NC(C=C1)=C(c1[nH]c(cc1)C(=C1N=C(C=C1)C(=C1C=CC(=O)N1)c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: A Facile and Versatile Preparation of Bilindiones and Biladienones from Tetraarylporphyrins
• Authors of publication: Tadashi Mizutani; Ho-Chol Chang; Hirotaka Furukawa; Shoji Horii; Susumu Kitagawa; Shigeyuki Masaoka; K. Wada; Takae Yamauchi
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 5.905 ± 0.001 Å
• b: 22.765 ± 0.004 Å
• c: 21.913 ± 0.004 Å
• α: 90°
• β: 100.031 ± 0.004°
• γ: 90°
• Cell volume: 2900 ± 1 ų
• Cell temperature: 243.2 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