Information card for entry 1571737

Structure parameters

• Formula: C30 H34 Br4 N2 O4
• Calculated formula: C30 H34 Br4 N2 O4
• 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: 5.2191 ± 0.0003 Å
• b: 9.7042 ± 0.0004 Å
• c: 14.6193 ± 0.0006 Å
• α: 92.556 ± 0.003°
• β: 99.112 ± 0.004°
• γ: 90.114 ± 0.004°
• Cell volume: 730.32 ± 0.06 ų
• Cell temperature: 99.97 ± 0.15 K
• Ambient diffraction temperature: 99.97 ± 0.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1043
• Residual factor for significantly intense reflections: 0.0953
• Weighted residual factors for significantly intense reflections: 0.2924
• Weighted residual factors for all reflections included in the refinement: 0.3137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.454
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No