Information card for entry 2210564

Structure parameters

• Chemical name: N,N'-Bis(2,2,2-trifluoroacetyl)hexane-1,6-diamine
• Formula: C10 H14 F6 N2 O2
• Calculated formula: C10 H14 F6 N2 O2
• SMILES: O=C(C(F)(F)F)NCCCCCCNC(=O)C(F)(F)F
• Title of publication: <i>N</i>,<i>N</i>'-Bis(2,2,2-trifluoroacetyl)hexane-1,6-diamine
• Authors of publication: Yan-Bo Weng; Jing-Kang Wang; Yan-Fei Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 10
• Pages of publication: o4616 - o4617
• a: 7.2009 ± 0.0014 Å
• b: 10.498 ± 0.002 Å
• c: 8.9607 ± 0.0018 Å
• α: 90°
• β: 90.51 ± 0.03°
• γ: 90°
• Cell volume: 677.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1507
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes