Information card for entry 7101020

Structure parameters

• Common name: [PhClBTMe]
• Formula: C20 H13 Cl N5 S2
• Calculated formula: C20 H13 Cl N5 S2
• SMILES: S1N=C(N=C2N(C3=NC(=NSC3=C(Cl)[C]12)c1ccccc1)C)c1ccccc1
• Title of publication: Resonance stabilized bis-thiadiazinyl radicals
• Authors of publication: Richard Oakley; Leanne Beer; Robert C. Haddon; Mikhail E. Itkis; Alicea A. Leitch; Robert W. Reed; John F. Richardson; Donald G. VanderVeer
• Journal of publication: Chemical Communications
• Year of publication: 2005
• a: 3.9232 ± 0.0008 Å
• b: 27.527 ± 0.006 Å
• c: 16.378 ± 0.003 Å
• α: 90°
• β: 90.17 ± 0.03°
• γ: 90°
• Cell volume: 1768.7 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.15 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