Information card for entry 7237809

Structure parameters

• Formula: C23.5 H25.5 Cl2 N4.5 O4.5
• Calculated formula: C23.5 H25.5 Cl2 N4.5 O4.5
• 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: 14.7597 ± 0.0004 Å
• b: 13.1892 ± 0.0003 Å
• c: 25.413 ± 0.0006 Å
• α: 90°
• β: 94.013 ± 0.002°
• γ: 90°
• Cell volume: 4935 ± 0.2 ų
• Cell temperature: 290.4 ± 0.4 K
• Ambient diffraction temperature: 290.4 ± 0.4 K
• Number of distinct elements: 5
• 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: 0.0704
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1735
• Weighted residual factors for all reflections included in the refinement: 0.1853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No