Information card for entry 1504964

Structure parameters

• Formula: C24 H21 N3 O
• Calculated formula: C24 H21 N3 O
• SMILES: Oc1c(c2n(nnc2C2=CCCCC2)c2ccccc2)c2c(cc1)cccc2
• Title of publication: Efficient synthesis of N-2-aryl-1,2,3-triazole fluorophores via post-triazole arylation.
• Authors of publication: Liu, Yuxiu; Yan, Wuming; Chen, Yunfeng; Petersen, Jeffrey L.; Shi, Xiaodong
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 23
• Pages of publication: 5389 - 5392
• a: 10.1475 ± 0.001 Å
• b: 15.3555 ± 0.0014 Å
• c: 13.0042 ± 0.0013 Å
• α: 90°
• β: 100.217 ± 0.002°
• γ: 90°
• Cell volume: 1994.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0604
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No