Information card for entry 7100828

Structure parameters

• Common name: alpha BPzEt dimer
• Formula: C12 H10 N8 S8
• Calculated formula: C12 H10 N8 S8
• SMILES: C12=NSSC1=N[C@]1(C(=NSS1)N2CC)[C@]12C(=NSS2)N(C2=NSSC2=N1)CC
• 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: 9.332 ± 0.002 Å
• b: 7.4076 ± 0.0016 Å
• c: 14.207 ± 0.003 Å
• α: 90°
• β: 100.594 ± 0.003°
• γ: 90°
• Cell volume: 965.4 ± 0.4 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/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No