Information card for entry 7053783

Structure parameters

• Formula: C64 H58 F12 N4 S4 Si2
• Calculated formula: C64 H58 F12 N4 S4 Si2
• SMILES: FC1(F)C(=C(c2c(sc(c2)[Si](C)(C)C)C)C(F)(F)C1(F)F)c1c(/C=C/c2cc(c3cc(ccn3)/C=C/c3c(cc(s3)c3ccc(N(C)C)cc3)C3=C(C(F)(F)C(F)(F)C3(F)F)c3c(sc(c3)[Si](C)(C)C)C)ncc2)sc(c1)c1ccc(N(C)C)cc1
• Title of publication: A “reverse interrupter”: the novel molecular design of a fluorescent photochromic DTE-based bipyridine
• Authors of publication: Aubert, Vincent; Ishow, Elena; Ibersiene, Fatima; Boucekkine, Abdou; Williams, J. A. Gareth; Toupet, Loic; Métivier, Rémi; Nakatani, Keitaro; Guerchais, Véronique; Le Bozec, Hubert
• Journal of publication: New Journal of Chemistry
• Year of publication: 2009
• Journal volume: 33
• Journal issue: 6
• Pages of publication: 1320
• a: 10.4582 ± 0.0005 Å
• b: 19.8097 ± 0.0009 Å
• c: 14.9154 ± 0.0007 Å
• α: 90°
• β: 100.277 ± 0.004°
• γ: 90°
• Cell volume: 3040.5 ± 0.2 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1082
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.2513
• Weighted residual factors for all reflections included in the refinement: 0.2604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No