Information card for entry 7125879

Structure parameters

• Formula: C21 H22 N3 O2
• Calculated formula: C21 H22 N3 O2
• Title of publication: Efficient photosensitizers with aggregation-induced emission characteristics for lysosome- and Gram-positive bacteria-targeted photodynamic therapy.
• Authors of publication: Zhuang, Jiabao; Yang, Hanxiao; Li, Yue; Wang, Bing; Li, Nan; Zhao, Na
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 17
• Pages of publication: 2630 - 2633
• a: 6.5347 ± 0.0003 Å
• b: 11.4519 ± 0.0005 Å
• c: 14.2937 ± 0.0006 Å
• α: 112.503 ± 0.004°
• β: 95.468 ± 0.004°
• γ: 100.753 ± 0.003°
• Cell volume: 954.35 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0547
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1338
• Weighted residual factors for all reflections included in the refinement: 0.1434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No