Information card for entry 7235114

Structure parameters

• Common name: ht-dma
• Formula: C13 H13 N5
• Calculated formula: C13 H13 N5
• SMILES: N(=C\c1ccc(N(C)C)cc1)/C(=C(N)/C#N)/C#N
• Title of publication: Diaminomaleonitrile-based Schiff bases: aggregation-enhanced emission, red fluorescence, mechanochromism and bioimaging applications
• Authors of publication: Ting Han; Xinggui Gu; Jacky W. Y. Lam; Anakin C. S. Leung; Ryan T. K. Kwok; Tianyu Han; Bin Tong; Jianbing Shi; Yuping Dong; Ben Zhong Tang
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2016
• Journal volume: 4
• Pages of publication: 10430 - 10434
• a: 12.067 ± 0.003 Å
• b: 7.0775 ± 0.0017 Å
• c: 15.484 ± 0.004 Å
• α: 90°
• β: 110.374 ± 0.003°
• γ: 90°
• Cell volume: 1239.7 ± 0.5 ų
• Cell temperature: 153.15 K
• Ambient diffraction temperature: 153.15 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: 0.0487
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No