Information card for entry 4021288

Structure parameters

• Formula: C117 H42 N6 Zn
• Calculated formula: C117 H42 N6 Zn
• SMILES: [Zn]123([n]4ccc(N5CC67C8(c9c%10c%11c6c6c%12c7c7c%13c8c8c%14c%15c%13c%13c7c7c%16c%17c%18c%19c(c%15c%15c%14c%14c(c98)c8c9c%14c%14c%15c%19c%15c%14c%14c9c9c%19c%14c%14c%15c%18c%15c%14c%14c(c6c(c%11c9c%108)c%19%14)c(c%16%15)c%127)c%13%17)C5)cc4)n4c5C(=c6[n]1c(C(=c1n2c(=C(c2[n]3c(cc2)=C(c4cc5)c2ccccc2)c2ccccc2)cc1)c1ccccc1)cc6)c1ccccc1.c1ccccc1
• Title of publication: A New Fullerene Complexation Ligand: N-Pyridylfulleropyrrolidine
• Authors of publication: Fatma T. Tat; Zhiguo Zhou; Shaun MacMahon; Fayi Song; Arnold L. Rheingold; Luis Echegoyen; David I. Schuster; Stephen R. Wilson
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 4602 - 4606
• a: 17.7939 ± 0.0014 Å
• b: 20.8707 ± 0.0017 Å
• c: 20.5047 ± 0.0016 Å
• α: 90°
• β: 90.178 ± 0.001°
• γ: 90°
• Cell volume: 7614.8 ± 1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No