Information card for entry 1554106

Structure parameters

• Formula: C38 H46 N2
• Calculated formula: C38 H46 N2
• SMILES: c12ccccc1c1ccc3c(c1n2CCCCCCCC)ccc1c2c(cccc2)n(c31)CCCCCCCC
• Title of publication: Structure‒Property Correlation behind the High Mobility of Carbazolocarbazole
• Authors of publication: Más-Montoya, Miriam; Georgakopoulos, Stamatis; Cerón-Carrasco, José Pedro; Pérez, José; Tárraga, Alberto; Curiel, David
• Journal of publication: The Journal of Physical Chemistry C
• Year of publication: 2018
• Journal volume: 122
• Journal issue: 22
• Pages of publication: 11736
• a: 17.9035 ± 0.0007 Å
• b: 4.6373 ± 0.0002 Å
• c: 17.9058 ± 0.0007 Å
• α: 90°
• β: 92.1361 ± 0.0014°
• γ: 90°
• Cell volume: 1485.58 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0553
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No