Information card for entry 2237199

Structure parameters

• Chemical name: 6,12-Bis(hexyloxy)-5<i>H</i>,11<i>H</i>-indolo[3,2-<i>b</i>]carbazole
• Formula: C30 H36 N2 O2
• Calculated formula: C30 H36 N2 O2
• SMILES: c1(c2c(c(c3c1c1ccccc1[nH]3)OCCCCCC)c1ccccc1[nH]2)OCCCCCC
• Title of publication: 6,12-Bis(hexyloxy)-5<i>H</i>,11<i>H</i>-indolo[3,2-<i>b</i>]carbazole
• Authors of publication: Wrobel, Norma; Witulski, Bernhard; Schollmeyer, Dieter; Detert, Heiner
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o116 - o117
• a: 13.7136 ± 0.0004 Å
• b: 5.5026 ± 0.0004 Å
• c: 16.5563 ± 0.0005 Å
• α: 90°
• β: 92.665 ± 0.003°
• γ: 90°
• Cell volume: 1247.99 ± 0.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0652
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1719
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes