Information card for entry 1503183

Structure parameters

• Formula: C53 H34 F6 O2 S2
• Calculated formula: C53 H34 F6 O2 S2
• SMILES: s1c(c(C2=C(C(F)(F)C(F)(F)C2(F)F)c2c(sc(c2)[C@@]2(Oc3c(C=C2)c2ccccc2cc3)c2ccccc2)C)cc1[C@@]1(Oc2c(C=C1)c1ccccc1cc2)c1ccccc1)C.s1c(c(C2=C(C(F)(F)C(F)(F)C2(F)F)c2c(sc(c2)[C@]2(Oc3c(C=C2)c2ccccc2cc3)c2ccccc2)C)cc1[C@]1(Oc2c(C=C1)c1ccccc1cc2)c1ccccc1)C
• Title of publication: Bridging the visible: the modulation of the absorption by more than 450 nm.
• Authors of publication: Delbaere, Stéphanie; Vermeersch, Gaston; Frigoli, Michel; Mehl, Georg H.
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 18
• Pages of publication: 4090 - 4093
• a: 12.4284 ± 0.0017 Å
• b: 13.7209 ± 0.0019 Å
• c: 13.789 ± 0.002 Å
• α: 95.204 ± 0.01°
• β: 108.784 ± 0.012°
• γ: 101.21 ± 0.011°
• Cell volume: 2153.8 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1373
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No