Information card for entry 7100897

Structure parameters

• Formula: C23 H30 O6 S2
• Calculated formula: C23 H30 O6 S2
• SMILES: s1cc2OC[C@]3(COc2c1c1scc2OC[C@](COc12)(COCCCCCOC3)C)C
• Title of publication: Conformational Locking for Band Gap Control in 3,4-Propylenedioxythiophene Based Electrochromic Polymers
• Authors of publication: John Reynolds; Khalil Abboud; J.S.Cowart Junior; Ryan M. Walczak
• Journal of publication: Chemical Communications
• Year of publication: 2006
• a: 12.814 ± 0.0007 Å
• b: 11.3396 ± 0.0006 Å
• c: 15.5221 ± 0.0008 Å
• α: 90°
• β: 92.432 ± 0.001°
• γ: 90°
• Cell volume: 2253.4 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 173 ± 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