Information card for entry 7250771

Structure parameters

• Formula: C21 H20 N O
• Calculated formula: C21 H20 N O
• 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: 14.8338 ± 0.0007 Å
• b: 8.9317 ± 0.0003 Å
• c: 12.4283 ± 0.0005 Å
• α: 90°
• β: 98.816 ± 0.004°
• γ: 90°
• Cell volume: 1627.18 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0997
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.2265
• Weighted residual factors for all reflections included in the refinement: 0.2521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No