Information card for entry 7056958

Structure parameters

• Formula: C65 H64 N2
• Calculated formula: C65 H64 N2
• SMILES: c1ccc(cc1)N(c1ccccc1)c1ccc(/C=C/c2cc3C(CCCCCC)(CCCCCC)c4c(ccc(/C=C/c5ccc(cc5)N(c5ccccc5)c5ccccc5)c4)c3cc2)cc1
• Title of publication: Design of two-photon absorbing fluorophores for FRET antenna-core oxygen probes
• Authors of publication: Zheng, Zheng; Ayhan, Mehmet Menaf; Liao, Yuan-Yuan; Calin, Nathalie; Bucher, Christophe; Andraud, Chantal; Bretonnière, Yann
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 10
• Pages of publication: 7914
• a: 11.0704 ± 0.0009 Å
• b: 14.3596 ± 0.0011 Å
• c: 17.1745 ± 0.001 Å
• α: 79.77 ± 0.006°
• β: 87.148 ± 0.006°
• γ: 69.427 ± 0.008°
• Cell volume: 2515.2 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1069
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.2748
• Weighted residual factors for all reflections included in the refinement: 0.2911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No