Information card for entry 1569436

Structure parameters

• Formula: C38 H51 N O9
• Calculated formula: C38 H51 N O9
• SMILES: O=C(O)c1c(cc(c(c2ccc(cc2)C(=O)O)c1)c1ccc(cc1)C(=O)O)C(=O)[O-].O.[N+](CCCC)(CCCC)(CCCC)CCCC
• Title of publication: Bioinspired HOF-based luminescent skin sensor with triple mechanochromism responses for the recognition and collection of human biophysical signals.
• Authors of publication: Xu, Xin; Yan, Bing
• Journal of publication: Materials horizons
• Year of publication: 2023
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 2062 - 2074
• a: 9.7279 ± 0.0018 Å
• b: 12.109 ± 0.002 Å
• c: 16.102 ± 0.003 Å
• α: 87.019 ± 0.007°
• β: 89.242 ± 0.007°
• γ: 70.646 ± 0.006°
• Cell volume: 1787.1 ± 0.6 ų
• Cell temperature: 145 K
• Ambient diffraction temperature: 145 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1451
• Residual factor for significantly intense reflections: 0.0843
• Weighted residual factors for significantly intense reflections: 0.1861
• Weighted residual factors for all reflections included in the refinement: 0.2186
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No