Information card for entry 7103122

Structure parameters

• Formula: C26 H23 O4 P S2
• Calculated formula: C26 H23 O4 P S2
• SMILES: p1(c(c2CCCCc2c1c1scc2OCCOc12)c1scc2OCCOc12)c1ccccc1
• Title of publication: Synthesis, electronic properties and electropolymerisation of EDOT-capped sigma3-phospholes.
• Authors of publication: Lemau de Talancé, Vincent; Hissler, Muriel; Zhang, Ling-Zhi; Kárpáti, Tamás; Nyulászi, László; Caras-Quintero, Dolores; Bäuerle, Peter; Réau, Régis
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 19
• Pages of publication: 2200 - 2202
• a: 11.081 ± 0.002 Å
• b: 14.186 ± 0.002 Å
• c: 15.345 ± 0.003 Å
• α: 90°
• β: 104.749 ± 0.007°
• γ: 90°
• Cell volume: 2332.7 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No