Information card for entry 2206777

Structure parameters

• Common name: 1,3-bis(9-ethylcarbazol-3-yl)propane
• Chemical name: 1,3-bis(9-ethyl-9H-carbazol-3-yl)propane
• Formula: C31 H30 N2
• Calculated formula: C31 H30 N2
• SMILES: n1(c2c(c3cc(ccc13)CCCc1ccc3n(c4c(c3c1)cccc4)CC)cccc2)CC
• Title of publication: 1,3-Bis(9-ethylcarbazol-3-yl)propane
• Authors of publication: Asker, Erol; Masnovi, John
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2781 - o2783
• a: 8.195 ± 0.0008 Å
• b: 11.1921 ± 0.0008 Å
• c: 26.931 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2470.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 29
• Hermann-Mauguin space group symbol: P 21 c a
• Hall space group symbol: P -2ac 2a
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes