Information card for entry 7109173

Structure parameters

• Formula: C72 H76 N4 Zn
• Calculated formula: C72 H76 N4 Zn
• SMILES: [Zn]123n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1ccc(cc1)CCCCCC)cc2)C#Cc1ccc(cc1)CCCCCC)cc3)c1ccc(cc1)CCCCCC)cc6)C#Cc1ccc(cc1)CCCCCC
• Title of publication: Dramatic enhancement of carrier mobility via effective secondary structural arrangement resulting from the substituents in a porphyrin transistor
• Authors of publication: Seung Hyun Chae; Soojung Choi; Jicheol Shin; Youngmee Kim; Sung-Jin Kim; Dong Hoon Choi; SukJoong Lee
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 3994
• a: 10.725 ± 0.002 Å
• b: 15.113 ± 0.003 Å
• c: 35.434 ± 0.007 Å
• α: 90°
• β: 91.85 ± 0.03°
• γ: 90°
• Cell volume: 5740.4 ± 1.9 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.3002
• Residual factor for significantly intense reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.1779
• Weighted residual factors for all reflections included in the refinement: 0.2344
• Goodness-of-fit parameter for all reflections included in the refinement: 0.74
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No