Information card for entry 4020523

Structure parameters

• Formula: C22.5 H12.5 O S5.5
• Calculated formula: C21.5 H12.5 O S5.5
• Title of publication: Heteroatom-Substituted Expanded Radialenes: One-Pot Synthesis and Characterization of Expanded 1,3-Dithiolane[n]radialenes
• Authors of publication: Yu-Long Zhao; Qun Liu; Jing-Ping Zhang; Zhi-Qiang Liu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 6913 - 6917
• a: 8.6162 ± 0.001 Å
• b: 22.137 ± 0.003 Å
• c: 12.4884 ± 0.0014 Å
• α: 90°
• β: 93.563 ± 0.002°
• γ: 90°
• Cell volume: 2377.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No