Information card for entry 1568787

Structure parameters

• Formula: C36 H50 N2 O4
• Calculated formula: C36 H50 N2 O4
• Title of publication: Synthesis, Solution, and Solid State Properties of Homological Dialkylated Naphthalene Diimides—A Systematic Review of Molecules for Next-Generation Organic Electronics
• Authors of publication: Chlebosz, Dorota; Goldeman, Waldemar; Janus, Krzysztof; Szuster, Michał; Kiersnowski, Adam
• Journal of publication: Molecules
• Year of publication: 2023
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2940
• a: 7.8478 ± 0.0006 Å
• b: 4.8691 ± 0.0003 Å
• c: 42.509 ± 0.003 Å
• α: 90°
• β: 92.142 ± 0.006°
• γ: 90°
• Cell volume: 1623.2 ± 0.2 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0847
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1045
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No