Information card for entry 2206291

Structure parameters

• Chemical name: 3,3'-(Quinoxaline-2,3-diyldimethylene)bis(pentane-2,4-dione)
• Formula: C20 H22 N2 O4
• Calculated formula: C20 H22 N2 O4
• SMILES: O=C(C(Cc1c(nc2ccccc2n1)CC(C(=O)C)C(=O)C)C(=O)C)C
• Title of publication: 3,3'-(Quinoxaline-2,3-diyldimethylene)bis(pentane-2,4-dione)
• Authors of publication: Liliana Dobrzańska; Gareth O. Lloyd
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 7
• Pages of publication: o2114 - o2116
• a: 22.383 ± 0.0017 Å
• b: 7.4043 ± 0.0006 Å
• c: 23.3675 ± 0.0018 Å
• α: 90°
• β: 112.224 ± 0.001°
• γ: 90°
• Cell volume: 3585 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes