Information card for entry 7109949

Structure parameters

• Formula: C32 H39 N O5 S2
• Calculated formula: C32 H39 N O5 S2
• SMILES: s1c(C=O)cc(c1C)C1=C(CCC1)c1c(sc(c1)c1ccc(N2CCOCCOCCOCCOCC2)cc1)C
• Title of publication: Reversible photo-controllable gels based on bisthienylethene-doped lecithin micelles
• Authors of publication: Jiaqi Zhang; Jiayu Jin; Lei Zou; He Tian
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 9926
• a: 14.249 ± 0.003 Å
• b: 15.131 ± 0.003 Å
• c: 14.177 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3056.6 ± 1.1 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1675
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No