Information card for entry 7120330

Structure parameters

• Chemical name: 2
• Formula: C18 H19 N3 O
• Calculated formula: C18 H19 N3 O
• SMILES: Oc1cc(ccc1c1n[nH]c(c1)c1ccc(N(C)C)cc1)C
• Title of publication: ESIPT-Active Organic Compounds with White Luminescence Based on Crystallization-Induced Keto Emission (CIKE)
• Authors of publication: Zhang, Hongyu; Liu, Huapeng; Cheng, Xiao; Zhang, houyu; Wang, Yue; Yamaguchi, Shigehiro
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 8.2675 ± 0.001 Å
• b: 9.2336 ± 0.0011 Å
• c: 20.109 ± 0.003 Å
• α: 90°
• β: 99.166 ± 0.002°
• γ: 90°
• Cell volume: 1515.5 ± 0.3 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: 0.0695
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1085
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No