Information card for entry 7058404

Structure parameters

• Formula: C16 H10 N2 O3 S
• Calculated formula: C16 H10 N2 O3 S
• Title of publication: Naphthalimide/benzimide-based excited-state intramolecular proton transfer active luminogens: aggregation-induced enhanced emission and potential for chemical modification
• Authors of publication: Wang, Rong; Ding, Ju; Zhang, Yanrong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 23
• Pages of publication: 9152
• a: 5.6795 ± 0.0005 Å
• b: 28.701 ± 0.003 Å
• c: 7.8681 ± 0.0007 Å
• α: 90°
• β: 90.117 ± 0.002°
• γ: 90°
• Cell volume: 1282.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0913
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1735
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No