Information card for entry 4113815

Structure parameters

• Formula: C26 H20 F6 O2 S2
• Calculated formula: C26 H20 F6 O2 S2
• SMILES: s1c(c(c2ccccc12)C1=C(c2c(sc3c2cccc3)C)C(F)(F)C(F)(F)C1(F)F)[C@@H](OCOC)C
• Title of publication: Diastereoselective Photochromism of a Bisbenzothienylethene Governed by Steric as Well as Electronic Interactions
• Authors of publication: Yasushi Yokoyama; Hidenori Shiraishi; Yutaka Tani; Yayoi Yokoyama; Yoshitaka Yamaguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 7194 - 7195
• a: 16.779 ± 0.003 Å
• b: 17.304 ± 0.004 Å
• c: 8.443 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2451.4 ± 1.4 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.278
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No