Information card for entry 1571736

Structure parameters

• Formula: C30 H38 N2 O4
• Calculated formula: C30 H38 N2 O4
• SMILES: c12c3c(C(=O)N(C1=O)C[C@H](CCCC)CC)ccc1c3c(C(=O)N(C1=O)C[C@@H](CCCC)CC)cc2
• Title of publication: Engineered solid-state aggregates in brickwork stacks of n-type organic semiconductors: a way to achieve high electron mobility.
• Authors of publication: Giri, Indrajit; Chhetri, Shant; John P, Jesslyn; Mondal, Madalasa; Dey, Arka Bikash; Vijayaraghavan, Ratheesh K.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 25
• Pages of publication: 9630 - 9640
• a: 5.088 ± 0.008 Å
• b: 7.898 ± 0.012 Å
• c: 17.03 ± 0.02 Å
• α: 93.5 ± 0.05°
• β: 92.9 ± 0.04°
• γ: 93.65 ± 0.05°
• Cell volume: 680.7 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2081
• Residual factor for significantly intense reflections: 0.1776
• Weighted residual factors for significantly intense reflections: 0.3906
• Weighted residual factors for all reflections included in the refinement: 0.4118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.668
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No