Information card for entry 2010911

Structure parameters

• Formula: C14 H21 N O
• Calculated formula: C14 H21 N O
• SMILES: O/N=C(C(C)(c1ccccc1)C)\C(C)(C)C
• Title of publication: 2,4,4-Trimethyl-2-phenyl-3-pentanone oxime
• Authors of publication: Luck, Rudy L.; Mendenhall, G. David
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 602 - 603
• a: 6.2605 ± 0.0007 Å
• b: 12.0422 ± 0.0008 Å
• c: 18.193 ± 0.002 Å
• α: 105.689 ± 0.007°
• β: 95.477 ± 0.009°
• γ: 95.672 ± 0.007°
• Cell volume: 1303.3 ± 0.2 ų
• Cell 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 significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes