Information card for entry 4100350

Structure parameters

• Formula: C76 H94 N4 O
• Calculated formula: C76 H92 N4 O2
• SMILES: C1(=c2c(c(c(=C(c3nc(=C(c4c(c(c(C(=c5c(c(c1n5)CC(C)C)CC(C)C)c1ccccc1)[nH]4)CC(C)C)CC(C)C)c1ccccc1)c(c3CC(C)C)CC(C)C)c1ccccc1)[nH]2)CC(C)C)CC(C)C)c1ccccc1.O.O
• Title of publication: Synthesis and Structure of 16 π Octaalkyltetraphenylporphyrins
• Authors of publication: Yamamoto, Yohsuke; Yamamoto, Akihiro; Furuta, Shin-ya; Horie, Masanori; Kodama, Megumi; Sato, Wataru; Akiba, Kin-ya; Tsuzuki, Seiji; Uchimaru, Tadafumi; Hashizume, Daisuke; Iwasaki, Fujiko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Journal issue: 42
• Pages of publication: 14540 - 14541
• a: 18.048 ± 0.0003 Å
• b: 18.048 ± 0.0003 Å
• c: 25.862 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8424 ± 0.3 ų
• Cell temperature: 200 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No