Information card for entry 7218992

Structure parameters

• Common name: 7-hexyl-7-monoaza[6]helicene
• Formula: C29 H26 N
• Calculated formula: C30 H26 N
• SMILES: n1(CCCCC=C)c2c(c3c4c5c(cccc5)ccc4ccc3cc2)c2c1cccc2
• Title of publication: Deep-blue electroluminescence from nondoped and doped organic light-emitting diodes (OLEDs) based on a new monoaza[6]helicene
• Authors of publication: Hua, Wanming; Liu, Zhi; Duan, Lian; Dong, Guifang; Qiu, Yong; Zhang, Baojie; Cui, Deliang; Tao, Xutang; Cheng, Na; Liu, Yongjun
• Journal of publication: RSC Adv.
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 75
• a: 12.919 ± 0.004 Å
• b: 9.577 ± 0.003 Å
• c: 17.878 ± 0.006 Å
• α: 90°
• β: 93.149 ± 0.005°
• γ: 90°
• Cell volume: 2208.6 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1457
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.2129
• Weighted residual factors for all reflections included in the refinement: 0.2466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.233
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No