Information card for entry 7220668

Structure parameters

• Chemical name: 3,6-Bis(2,2-diphenylethenyl)-9-(2-ethylhexyl)-2,7-dimethoxycarbazole
• Formula: C50 H49 N O2
• Calculated formula: C50 H49 N O2
• SMILES: O(c1cc2n(c3c(c2cc1C=C(c1ccccc1)c1ccccc1)cc(C=C(c1ccccc1)c1ccccc1)c(OC)c3)CC(CC)CCCC)C
• Title of publication: Structure–property relationship of isomeric diphenylethenyl-disubstituted dimethoxycarbazoles
• Authors of publication: Bucinskas, Audrius; Bagdziunas, Gintautas; Tomkeviciene, Ausra; Volynyuk, Dmytro; Kostiv, Nataliya; Gudeika, Dalius; Jankauskas, Vygintas; Rutkis, Martins; Grazulevicius, Juozas V.
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 61
• Pages of publication: 49577
• a: 16.3265 ± 0.0002 Å
• b: 18.2018 ± 0.0002 Å
• c: 26.5776 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7898.11 ± 0.16 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.113
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for all reflections: 0.163
• Weighted residual factors for significantly intense reflections: 0.155
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections: 1.07
• Goodness-of-fit parameter for significantly intense reflections: 1.163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No