Information card for entry 7234112

Structure parameters

• Formula: C33 H30 N2
• Calculated formula: C33 H30 N2
• SMILES: N(=C\c1ccc(N(CC)CC)cc1)/c1ccc(/C=C/c2c3c(cc4c2cccc4)cccc3)cc1
• Title of publication: Difunctional chemosensor for Cu(ii) and Zn(ii) based on Schiff base modified anthryl derivative with aggregation-induced emission enhancement and piezochromic characteristics
• Authors of publication: Mingdi Yang; Yan Zhang; Weiju Zhu; Huizhen Wang; Jing Huang; Longhuai Cheng; Hongping Zhou; Jieying Wu; Yupeng Tian
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2015
• Journal volume: 3
• Pages of publication: 1994 - 2002
• a: 13.74 ± 0.005 Å
• b: 12.487 ± 0.005 Å
• c: 15.071 ± 0.006 Å
• α: 90°
• β: 100.349 ± 0.005°
• γ: 90°
• Cell volume: 2543.7 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• 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: 0.0795
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No