Information card for entry 7250769

Structure parameters

• Common name: C4-4DP
• Formula: C42 H40 N2 O2
• Calculated formula: C42 H40 N2 O2
• Title of publication: Effects of diphenyl-vinyl-substituted diketopyrrolopyrrole isomers on stacking and luminescence.
• Authors of publication: Wang, Ruixin; Yang, Puxi; Chen, Huizhi; Lan, Songming; Li, Haoyu; Fan, Wei; Gao, Guangpeng; Li, Xiaofang
• Journal of publication: RSC advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 29
• Pages of publication: 23681 - 23686
• a: 7.5109 ± 0.0001 Å
• b: 33.5396 ± 0.0004 Å
• c: 25.1881 ± 0.0003 Å
• α: 90°
• β: 92.803 ± 0.001°
• γ: 90°
• Cell volume: 6337.61 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0574
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No