Information card for entry 7208621

Structure parameters

• Formula: C26 H20 N2 O2
• Calculated formula: C26 H20 N2 O2
• SMILES: O(c1c(/C=C/c2ccc(C#N)cc2)cc(OC)c(/C=C/c2ccc(C#N)cc2)c1)C
• Title of publication: Water-miscible organic J-aggregate nanoparticles as efficient two-photon fluorescent nano-probes for bio-imaging
• Authors of publication: Xu, Zhenzhen; Liao, Qing; Wu, Yishi; Ren, Wenlu; Li, Wei; Liu, Libing; Wang, Shu; Gu, Zhanjun; Zhang, Haoli; Fu, Hongbing
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2012
• Journal volume: 22
• Journal issue: 34
• Pages of publication: 17737
• a: 8.511 ± 0.0015 Å
• b: 14.954 ± 0.003 Å
• c: 8.4748 ± 0.0015 Å
• α: 90°
• β: 104.292 ± 0.012°
• γ: 90°
• Cell volume: 1045.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0693
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1224
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No