Information card for entry 2011449

Structure parameters

• Chemical name: trans-2,3-Dibenzoyl-2-butenedioic acide diethyl ester
• Formula: C22 H20 O6
• Calculated formula: C22 H20 O6
• SMILES: CCOC(=O)C(=C(\C(=O)c1ccccc1)C(=O)OCC)/C(=O)c1ccccc1
• Title of publication: Diethyl <i>trans</i>-2,3-dibenzoyl-2-butenedioate
• Authors of publication: Li, Yi-Zhi; Dai, Rong-Bin; Wu, An-Xin; Wang, Min; Li, Qin-Xi; Sun, Gang-Chun; Wang, Liu-Fang; Xia, Chun-Gu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 10
• Pages of publication: e455 - e456
• a: 8.828 ± 0.006 Å
• b: 15.174 ± 0.005 Å
• c: 16.42 ± 0.007 Å
• α: 113.52 ± 0.03°
• β: 99.27 ± 0.04°
• γ: 83.53 ± 0.04°
• Cell volume: 1987.6 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.018
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.927
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes