Information card for entry 2238294

Structure parameters

• Chemical name: 2-[4-(Carbazol-9-yl)phenyl]-1,3-diethyl-1,3-diphenylguanidine
• Formula: C35 H32 N4
• Calculated formula: C35 H32 N4
• SMILES: CCN(C(=Nc1ccc(cc1)n1c2ccccc2c2c1cccc2)N(c1ccccc1)CC)c1ccccc1
• Title of publication: 2-[4-(Carbazol-9-yl)phenyl]-1,3-diethyl-1,3-diphenylguanidine
• Authors of publication: Tiritiris, Ioannis; Kantlehner, Willi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1066
• a: 9.4741 ± 0.0002 Å
• b: 15.95 ± 0.0006 Å
• c: 17.9102 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2706.44 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes