Information card for entry 2202785

Structure parameters

• Chemical name: (E)-1,2-bis(1,2-dimethyl-3-indolizinyl)ethene
• Formula: C22 H22 N2
• Calculated formula: C22 H22 N2
• SMILES: Cc1c(/C=C/c2c(C)c(c3n2cccc3)C)n2c(c1C)cccc2
• Title of publication: (<i>E</i>)-1,2-Bis(1,2-dimethyl-3-indolizinyl)ethene
• Authors of publication: Liu, Wei-Wei; Li, Yi-Zhi; Song, Ou; Hu, Hong-Wen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o1039 - o1040
• a: 8.253 ± 0.002 Å
• b: 5.435 ± 0.001 Å
• c: 19.056 ± 0.004 Å
• α: 90°
• β: 102.51 ± 0.01°
• γ: 90°
• Cell volume: 834.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0616
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes