Information card for entry 1557283

Structure parameters

• Formula: C25 H30 N4 O3
• Calculated formula: C25 H30 N4 O3
• SMILES: N#C/C(=C\c1ccc(N2CCN(CC2)C)cc1)c1ccc(cc1)c1ccncc1.O.O.O
• Title of publication: In vivo monitoring of tissue regeneration using a ratiometric lysosomal AIE probe
• Authors of publication: Shi, Xiujuan; Yan, Neng; Niu, Guangle; Sung, Simon H. P.; Liu, Zhiyang; Liu, Junkai; Kwok, Ryan T. K.; Lam, Jacky W. Y.; Wang, Wen-Xiong; Sung, Herman H.-Y.; Williams, Ian D.; Tang, Ben Zhong
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 3152 - 3163
• a: 6.6601 ± 0.0004 Å
• b: 7.4588 ± 0.0004 Å
• c: 23.5097 ± 0.0015 Å
• α: 94.931 ± 0.005°
• β: 90.774 ± 0.005°
• γ: 105.499 ± 0.005°
• Cell volume: 1120.43 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No