Information card for entry 7233551

Structure parameters

• Formula: C15 H17 N5
• Calculated formula: C15 H17 N5
• SMILES: N(=C\c1ccc(N(CC)CC)cc1)/C(=C(\N)C#N)C#N
• Title of publication: Defect-sensitive crystals based on diaminomaleonitrile-functionalized Schiff base with aggregation-enhanced emission
• Authors of publication: Tianyu Han; Yuning Hong; Ni Xie; Sijie Chen; Na Zhao; Engui Zhao; Jacky W. Y. Lam; Herman H. Y. Sung; Yuping Dong; Bin Tong; Ben Zhong Tang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2012
• Journal volume: 1
• Pages of publication: 7314 - 7320
• a: 9.416 ± 0.0002 Å
• b: 12.7884 ± 0.0002 Å
• c: 12.9807 ± 0.0004 Å
• α: 90°
• β: 108.879 ± 0.003°
• γ: 90°
• Cell volume: 1478.99 ± 0.07 ų
• Cell temperature: 173 ± 0.14 K
• Ambient diffraction temperature: 173 ± 0.14 K
• Number of distinct elements: 3
• 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: 0.0379
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No