Information card for entry 2011796

Structure parameters

• Formula: C17 H12 S5
• Calculated formula: C17 H12 S5
• SMILES: S=C1SC2=C(S1)SC(S2)(Cc1ccccc1)c1ccccc1
• Title of publication: 5-Benzyl-5-phenyl[1,3]dithiolo[4,5-<i>d</i>][1,3]dithiole-2-thione
• Authors of publication: Kaynak, F. Betül; Özbey, Süheyla; Öztürk, Turan; Ertaş, Erdal
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 319 - 320
• a: 14.178 ± 0.003 Å
• b: 6.3433 ± 0.0006 Å
• c: 19.227 ± 0.003 Å
• α: 90°
• β: 101.538 ± 0.015°
• γ: 90°
• Cell volume: 1694.2 ± 0.5 ų
• Cell temperature: 295 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.054
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No