Information card for entry 7100260

Structure parameters

• Formula: C14 H12 N2 O S6
• Calculated formula: C14 H12 N2 O S6
• SMILES: S1C(=CSC1=C1SC(=C(S1)SC)SC)C(=O)Nc1ncccc1
• Title of publication: Highly effective phosphate electrochemical sensor based on tetrathiafulvalene
• Authors of publication: Wei Xu.; Haiyan Lu.; Daoben Zhu.
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 10.683 ± 0.002 Å
• b: 16.387 ± 0.003 Å
• c: 10.065 ± 0.002 Å
• α: 90°
• β: 90.98 ± 0.03°
• γ: 90°
• Cell volume: 1761.7 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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