Information card for entry 2201620

Structure parameters

• Chemical name: tris(1-propan-1-onyl oxime)amine
• Formula: C9 H18 N4 O3
• Calculated formula: C9 H18 N4 O3
• SMILES: C(/C(=N/O)/C)N(C/C(=N/O)/C)C/C(=N/O)/C
• Title of publication: Tris(1-propan-2-onyl oxime)amine
• Authors of publication: Goldcamp, Michael J.; Krause Bauer, Jeanette A.; Baldwin, Michael J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 12
• Pages of publication: o1354 - o1355
• a: 17.1677 ± 0.0009 Å
• b: 17.1677 ± 0.0009 Å
• c: 17.1677 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5059.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1014
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes