Information card for entry 2237952

Structure parameters

• Chemical name: 3,4-Bis[1-(prop-2-ynyl)-1<i>H</i>-indol-3-yl]-1<i>H</i>-pyrrole-2,5-dione
• Formula: C26 H17 N3 O2
• Calculated formula: C26 H17 N3 O2
• SMILES: C#CCn1cc(c2c1cccc2)C1=C(C(=O)NC1=O)c1cn(c2c1cccc2)CC#C
• Title of publication: 3,4-Bis[1-(prop-2-ynyl)-1<i>H</i>-indol-3-yl]-1<i>H</i>-pyrrole-2,5-dione
• Authors of publication: Huang, Mu-Hua; Gao, Yong-Chen; Yang, Feng-Ling; Luo, Yun-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o924 - o925
• a: 8.8015 ± 0.0014 Å
• b: 11.2619 ± 0.0014 Å
• c: 11.838 ± 0.003 Å
• α: 62.86 ± 0.017°
• β: 73.625 ± 0.016°
• γ: 79.593 ± 0.012°
• Cell volume: 1000 ± 0.4 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 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: 0.066
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes