Information card for entry 1571001

Structure parameters

• Formula: C42 H33 N3 O3
• Calculated formula: C42 H33 N3 O3
• Title of publication: Differentiating aliphatic and aromatic alcohols using triazine-based supramolecular organogelators: end group-specific selective gelation with chain length of alcohols.
• Authors of publication: Paul, Priya; Saha, Subhajit; Biradha, Kumar
• Journal of publication: Soft matter
• Year of publication: 2024
• Journal volume: 20
• Journal issue: 11
• Pages of publication: 2568 - 2574
• a: 23.719 ± 0.003 Å
• b: 5.8937 ± 0.0007 Å
• c: 26.041 ± 0.003 Å
• α: 90°
• β: 117.009 ± 0.003°
• γ: 90°
• Cell volume: 3243.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1244
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No