Information card for entry 7100829

Structure parameters

• Common name: beta BPzEt dimer
• Formula: C12 H10 N8 S8
• Calculated formula: C12 H10 N8 S8
• SMILES: C12N(CC)/C(=N/SS/N=C3\C(=S)N=C4C(N3CC)=NSS4)C(=S)N=C2SSN=1
• Title of publication: Bimodal association of a bis-1,2,3-dithiazolyl radical
• Authors of publication: Richard Oakley; Alicea A. Leitch; Courtney E McKenzie; Robert W. Reed; John F. Richardson; Lenora D. Sawyer
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 4.5411 ± 0.0015 Å
• b: 7.583 ± 0.002 Å
• c: 27.391 ± 0.009 Å
• α: 90°
• β: 94.05 ± 0.005°
• γ: 90°
• Cell volume: 940.9 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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