Information card for entry 7119514

Structure parameters

• Formula: C37 H25 N5
• Calculated formula: C37 H25 N5
• SMILES: n1c2c(c3n(c(nc3c3c2nccc3)c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccccc2)ccc1
• Title of publication: Selectively lighting up two-photon photodynamic activity in mitochondria with AIE-active iridium(iii) complexes.
• Authors of publication: Liu, Jiangping; Jin, Chengzhi; Yuan, Bo; Liu, Xingguo; Chen, Yu; Ji, Liangnian; Chao, Hui
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 2052 - 2055
• a: 13.981 ± 0.002 Å
• b: 9.6424 ± 0.0017 Å
• c: 20.807 ± 0.004 Å
• α: 90°
• β: 90.981 ± 0.004°
• γ: 90°
• Cell volume: 2804.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0789
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No