Information card for entry 2243886

Structure parameters

• Chemical name: Diethyl (2<i>E</i>,2'<i>E</i>)-3,3'-[1-(8-phenylisoquinolin-1-yl)-1<i>H</i>-indole-2,7-diyl]diacrylate
• Formula: C33 H28 N2 O4
• Calculated formula: C33 H28 N2 O4
• Title of publication: Crystal structure and Hirshfeld analysis of diethyl (2<i>E</i>,2'<i>E</i>)-3,3'-[1-(8-phenylisoquinolin-1-yl)-1<i>H</i>-indole-2,7-diyl]diacrylate
• Authors of publication: Zhang, Xue-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2021
• Journal volume: 77
• Journal issue: 9
• a: 7.6918 ± 0.0011 Å
• b: 13.299 ± 0.002 Å
• c: 14.13 ± 0.002 Å
• α: 75.026 ± 0.002°
• β: 81.728 ± 0.003°
• γ: 79.838 ± 0.002°
• Cell volume: 1367.1 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0596
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1041
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes