Information card for entry 1572543

Structure parameters

• Formula: C39 H29 N9 O4
• Calculated formula: C39 H29 N9 O4
• SMILES: O=C(N/N=C/c1c2ncccc2ccc1)c1cc(C(=O)N/N=C/c2cccc3c2nccc3)cc(c1)C(=O)N/N=C/c1cccc2c1nccc2.O
• Title of publication: Exploring the gelation and AIE properties of a tripodal acylhydrazone-based probe: turn-on Zn(II) sensing in HEPES buffer.
• Authors of publication: Moral, Rubi; Das, Gopal
• Journal of publication: Soft matter
• Year of publication: 2024
• Journal volume: 20
• Journal issue: 38
• Pages of publication: 7668 - 7677
• a: 8.3334 ± 0.0012 Å
• b: 11.9948 ± 0.0017 Å
• c: 16.823 ± 0.002 Å
• α: 94.916 ± 0.004°
• β: 99.085 ± 0.004°
• γ: 94.038 ± 0.004°
• Cell volume: 1648.3 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 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: 0.1358
• Residual factor for significantly intense reflections: 0.0824
• Weighted residual factors for significantly intense reflections: 0.2168
• Weighted residual factors for all reflections included in the refinement: 0.2981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No