Information card for entry 1550728

Structure parameters

• Formula: C36 H24 N2 O2 S
• Calculated formula: C36 H24 N2 O2 S
• SMILES: S(=O)(=O)(c1c(n2c3ccccc3c3ccccc23)cccc1)c1ccccc1n1c2ccccc2c2ccccc12
• Title of publication: Intramolecular electronic coupling for persistent room-temperature luminescence for smartphone based time-gated fingerprint detection
• Authors of publication: Tian, Di; Zhu, Zece; Xu, Li; Cong, Hengjiang; Zhu, Jintao
• Journal of publication: Materials Horizons
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1215
• a: 15.1171 ± 0.0003 Å
• b: 10.6355 ± 0.0003 Å
• c: 39.0096 ± 0.0009 Å
• α: 90°
• β: 94.405 ± 0.002°
• γ: 90°
• Cell volume: 6253.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1469
• Residual factor for significantly intense reflections: 0.1248
• Weighted residual factors for significantly intense reflections: 0.3187
• Weighted residual factors for all reflections included in the refinement: 0.3354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.273
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No