Information card for entry 2207265

Structure parameters

• Chemical name: Dicyclohexylammonium 1-(2-hydroxy-1-naphthyl)-2-naphtholate
• Formula: C32 H37 N O2
• Calculated formula: C32 H37 N O2
• SMILES: Oc1c(c2c(cc1)cccc2)c1c([O-])ccc2ccccc12.[NH2+](C1CCCCC1)C1CCCCC1
• Title of publication: Dicyclohexylammonium 1-(2-hydroxy-1-naphthyl)-2-naphtholate
• Authors of publication: Ji-Xin Yuan; Li Li; Xin-Yuan Song; Zhi-Min Jin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3712 - o3714
• a: 14.9935 ± 0.0011 Å
• b: 10.1824 ± 0.0007 Å
• c: 16.9848 ± 0.0012 Å
• α: 90°
• β: 98.434 ± 0.002°
• γ: 90°
• Cell volume: 2565 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.1416
• Residual factor for significantly intense reflections: 0.0986
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes