Information card for entry 2017769

Structure parameters

• Common name: meso-hexamethyl propylene amine oxime (meso-HMPAO)
• Chemical name: <i>meso</i>-3,3'-[2,2-dimethylpropane-1,3-diylbis(azanediyl)]dibutan-2-one dioxime
• Formula: C13 H28 N4 O2
• Calculated formula: C13 H28 N4 O2
• SMILES: C(C)(C)(CN[C@@H](C)C(\C)=N\O)CN[C@H](C)C(=N\O)\C
• Title of publication: Powder X-ray studies of <i>meso</i>-hexamethyl propylene amine oxime (<i>meso</i>-HMPAO) in two different phases
• Authors of publication: Al-Ktaifani, Mahmoud; Rukiah, Mwaffak
• Journal of publication: Acta Crystallographica, Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o479 - o483
• a: 16.4453 ± 0.0004 Å
• b: 15.9587 ± 0.0003 Å
• c: 6.20073 ± 0.00011 Å
• α: 90°
• β: 94.7097 ± 0.0013°
• γ: 90°
• Cell volume: 1621.86 ± 0.06 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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
• Goodness-of-fit parameter for all reflections: 1.16
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No