Information card for entry 7117780

Structure parameters

• Formula: C32 H23 N O
• Calculated formula: C32 H23 N O
• SMILES: O=c1n2c(c(c3ccccc3)c3c1cccc3)c1c(c(c2c2ccccc2)C2CC2)cccc1
• Title of publication: Rhodium-catalyzed C-H activation of hydrazines leads to isoquinolones with tunable aggregation-induced emission properties
• Authors of publication: Bole Yu; Ying Chen; Mei Hong; Pingping Duan; Shifeng Gan; Hui Chao; Zujin Zhao; Jing Zhao
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 14365
• a: 9.948 ± 0.0002 Å
• b: 10.1669 ± 0.0002 Å
• c: 12.7171 ± 0.0008 Å
• α: 88.203 ± 0.006°
• β: 70.071 ± 0.005°
• γ: 73.961 ± 0.005°
• Cell volume: 1159.31 ± 0.09 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: 0.0931
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No