Information card for entry 1514362

Structure parameters

• Chemical name: 1-(5-Methyl-2-(4-(p-vinylbenzoyloxymethyl)phenyl)- 4-thiazolyl)-2-(5-methyl-2-phenyl-4-thiazolyl)- perfluorocyclopentene
• Formula: C35 H24 F6 N2 O2 S2
• Calculated formula: C35 H24 F6 N2 O2 S2
• SMILES: s1c(C)c(nc1c1ccccc1)C1=C(C(F)(F)C(F)(F)C1(F)F)c1nc(sc1C)c1ccc(cc1)COC(=O)c1ccc(cc1)C=C
• Title of publication: Crystal thickness dependence of the photoinduced crystal bending of 1-(5-methyl-2-(4-(p-vinylbenzoyloxymethyl)phenyl)-4-thiazolyl)-2-(5-methyl-2-phenyl-4-thiazolyl)perfluorocyclopentene.
• Authors of publication: Kitagawa, Daichi; Kobatake, Seiya
• Journal of publication: Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
• Year of publication: 2014
• Journal volume: 13
• Journal issue: 5
• Pages of publication: 764 - 769
• a: 12.9786 ± 0.0019 Å
• b: 6.6198 ± 0.0009 Å
• c: 36.186 ± 0.005 Å
• α: 90°
• β: 94.888 ± 0.003°
• γ: 90°
• Cell volume: 3097.6 ± 0.8 ų
• Cell temperature: 138 ± 2 K
• Ambient diffraction temperature: 138 ± 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: 0.0793
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No