Information card for entry 7237804

Structure parameters

• Formula: C28 H36 Cl2 N6 O6
• Calculated formula: C28 H36 Cl2 N6 O6
• Title of publication: Smart, chiral, and nonconjugated cyclohexane-based bis-salicylaldehyde hydrazides: multi-stimuli-responsive, turn-on, ratiometric, and thermochromic fluorescence, single-crystal structures via DFT calculations
• Authors of publication: Wang, Man; Cheng, Caiqi; Li, Chunbo; Wu, Dehua; Song, Jintong; Wang, Jun; Zhou, Xiangge; Xiang, Haifeng; Liu, Jin
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 22
• Pages of publication: 6767
• a: 10.66 ± 0.0003 Å
• b: 10.66 ± 0.0003 Å
• c: 24.2225 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2383.77 ± 0.11 ų
• Cell temperature: 295.84 ± 0.16 K
• Ambient diffraction temperature: 295.84 ± 0.16 K
• Number of distinct elements: 5
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.1633
• Weighted residual factors for all reflections included in the refinement: 0.1709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No