Information card for entry 1551872

Structure parameters

• Chemical name: o-Cz
• Formula: C25 H17 N O
• Calculated formula: C25 H17 N O
• SMILES: n1(c2c(c3c1cccc3)cccc2)c1c(C(=O)c2ccccc2)cccc1
• Title of publication: Two-Photon-Excited Ultralong Organic Room Temperature Phosphorescence by Operating Dual-Channel Triplet Harvesting
• Authors of publication: Mao, Zhu; Zhang, Yi; Yang, Zhan; Xu, Chao; Xie, Zongliang; Jiang, Long; Gu, Feng Long; Zhao, Juan; Aldred, Matthew Phillip; Chi, Zhenguo
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 11.5634 ± 0.0002 Å
• b: 15.7484 ± 0.0002 Å
• c: 10.0607 ± 0.0002 Å
• α: 90°
• β: 96.193 ± 0.001°
• γ: 90°
• Cell volume: 1821.41 ± 0.05 ų
• Cell temperature: 275 ± 6 K
• Ambient diffraction temperature: 275 ± 6 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: 0.0417
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No