Information card for entry 7237808

Structure parameters

• Formula: C22.33 H23 Cl2 N4 O4.33
• Calculated formula: C22.3333 H23 Cl2 N4 O4.33333
• 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: 10.6849 ± 0.0003 Å
• b: 17.9849 ± 0.0006 Å
• c: 20.2503 ± 0.0005 Å
• α: 91.331 ± 0.002°
• β: 97.757 ± 0.002°
• γ: 93.114 ± 0.003°
• Cell volume: 3848.3 ± 0.19 ų
• Cell temperature: 291.9 ± 0.4 K
• Ambient diffraction temperature: 291.9 ± 0.4 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1334
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No