Information card for entry 1514789

Structure parameters

• Formula: C31 H22 N2
• Calculated formula: C31 H22 N2
• SMILES: c1ccc(cc1)/C(=C/c1ccc(cc1)n1c2ccccc2c2c1cccc2)c1ccncc1
• Title of publication: Fluorescent pH sensor constructed from a heteroatom-containing luminogen with tunable AIE and ICT characteristics
• Authors of publication: Yang, Zhiyong; Qin, Wei; Lam, Jacky W. Y.; Chen, Sijie; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 9
• Pages of publication: 3725
• a: 9.7242 ± 0.0001 Å
• b: 17.6641 ± 0.0002 Å
• c: 25.6425 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4404.59 ± 0.08 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No