Information card for entry 4119084

Structure parameters

• Formula: C32 H28 P2 S4
• Calculated formula: C32 H28 P2 S4
• SMILES: s1c(c2p(p3c(c4CCCCc4c3c3sccc3)c3sccc3)c(c3CCCCc23)c2sccc2)ccc1
• Title of publication: Connecting π-Chromophores by σ-P−P Bonds: New Type of Assemblies Exhibiting σ−π-Conjugation
• Authors of publication: Fave, Claire; Hissler, Muriel; Kárpáti, Tamás; Rault-Berthelot, Joëlle; Deborde, Valérie; Toupet, Loic; Nyulászi, László; Réau, Régis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Journal issue: 19
• Pages of publication: 6058 - 6063
• a: 10.8103 ± 0.0004 Å
• b: 13.651 ± 0.0005 Å
• c: 20.8737 ± 0.001 Å
• α: 94.111 ± 0.002°
• β: 91.262 ± 0.002°
• γ: 113.14 ± 0.002°
• Cell volume: 2821 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1284
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.1848
• Weighted residual factors for all reflections included in the refinement: 0.2272
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4112557
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No