Information card for entry 2237931

Structure parameters

• Chemical name: 2-[3-(2-Acetoxyphenyl)quinoxalin-2-yl]phenyl acetate
• Formula: C24 H18 N2 O4
• Calculated formula: C24 H18 N2 O4
• SMILES: CC(=O)Oc1ccccc1c1nc2ccccc2nc1c1ccccc1OC(=O)C
• Title of publication: 2-[3-(2-Acetoxyphenyl)quinoxalin-2-yl]phenyl acetate
• Authors of publication: Shen, Dan-Feng; Lou, Shao-Jie; Xu, Dan-Qian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o764
• a: 9.5723 ± 0.0005 Å
• b: 16.7309 ± 0.0008 Å
• c: 13.0555 ± 0.0006 Å
• α: 90°
• β: 92.929 ± 0.002°
• γ: 90°
• Cell volume: 2088.15 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0683
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes