Information card for entry 2007656

Structure parameters

• Formula: C24 H42 N2 O3
• Calculated formula: C24 H42 N2 O3
• SMILES: NC(=O)c1cccnc1.CCCCCCCCCCCCCCCCCC(=O)O
• Title of publication: 1:1 Complex of Octadecanoic Acid and 3-Pyridinecarboxamide
• Authors of publication: Amai, Makoto; Endo, Tomohiro; Nagase, Hiromasa; Ueda, Haruhisa; Nakagaki, Masayuki
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 1367 - 1369
• a: 5.4313 ± 0.0005 Å
• b: 45.18 ± 0.003 Å
• c: 5.0355 ± 0.0005 Å
• α: 92.924 ± 0.006°
• β: 92.317 ± 0.008°
• γ: 92.088 ± 0.006°
• Cell volume: 1232.11 ± 0.19 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 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: 0.064
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for all reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.053
• Goodness-of-fit parameter for all reflections: 2.427
• Goodness-of-fit parameter for significantly intense reflections: 2.428
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No