Information card for entry 8107364

Structure parameters

• Chemical name: S-2-(1-(5-methylpyridin-2-ylamino)octyl)-3-hydroxynaphthalene-1,4-dione
• Formula: C48 H56 N4 O6
• Calculated formula: C48 H56 N4 O6
• Title of publication: Crystal structure of S-2-(1-(5-methylpyridin-2-ylamino)octyl)-3-hydroxynaphthalene-1,4-dione, C24H28N2O3
• Authors of publication: Chen, Qing-Gang; Wan, Wei; Peng, Guo-Ying; Huang, Chang-gan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 1
• Pages of publication: 101 - 103
• a: 12.8878 ± 0.0005 Å
• b: 27.5641 ± 0.0011 Å
• c: 13.0517 ± 0.0006 Å
• α: 90°
• β: 111.908 ± 0.002°
• γ: 90°
• Cell volume: 4301.7 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0887
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.149
• Weighted residual factors for all reflections included in the refinement: 0.1749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No