Information card for entry 1575263

Structure parameters

• Formula: C20 H21 N O4
• Calculated formula: C20 H21 N O4
• Title of publication: Aggregation-assisted energy gap modulation controls delayed emission in hybrid charge-transfer emitters.
• Authors of publication: Vinod, Kavya; Noushad, Najuma; Tanaka, Hidetoshi; Mohan, Nitha; Kokado, Yuya; Tomiya, Daiki; Kobori, Yasuhiro; Hariharan, Mahesh
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 34
• Pages of publication: 15546 - 15554
• a: 17.72 ± 0.019 Å
• b: 5.998 ± 0.007 Å
• c: 33.06 ± 0.04 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3514 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.2152
• Residual factor for significantly intense reflections: 0.0851
• Weighted residual factors for significantly intense reflections: 0.1844
• Weighted residual factors for all reflections included in the refinement: 0.2522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No