Information card for entry 7249179

Structure parameters

• Formula: C41 H29 N3 O
• Calculated formula: C41 H29 N3 O
• Title of publication: Excited-state intramolecular proton-transfer solid-state fluorophores with aggregation-induced emission as efficient emitters for electroluminescent devices
• Authors of publication: Petdee, Sujinda; Chantanop, Nuttapong; Arunlimsawat, Suangsiri; Saenubol, Atthapon; Nalaoh, Phattananawee; Sudyoadsuk, Taweesak; Promarak, Vinich
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 34
• Pages of publication: 4698 - 4707
• a: 12.6993 ± 0.0011 Å
• b: 16.3312 ± 0.0014 Å
• c: 14.3395 ± 0.0011 Å
• α: 90°
• β: 100.32 ± 0.003°
• γ: 90°
• Cell volume: 2925.8 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0505
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No