Information card for entry 2208879

Structure parameters

• Chemical name: dicyclohexylamine‒cyclohexanone oxime (1/1)
• Formula: C18 H34 N2 O
• Calculated formula: C18 H34 N2 O
• SMILES: ON=C1CCCCC1.N(C1CCCCC1)C1CCCCC1
• Title of publication: A 1:1molecular complex of dicyclohexylamine and cyclohexanone oxime
• Authors of publication: Chetina, Olga V.; Yufit, Dmitry S.; Howard, Judith A. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o2053 - o2055
• a: 29.599 ± 0.006 Å
• b: 11.359 ± 0.002 Å
• c: 5.1586 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1734.4 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes