Information card for entry 7238282

Structure parameters

• Chemical name: tetraacetyl 1,4-butanediamine
• Formula: C12 H20 N2 O4
• Calculated formula: C12 H20 N2 O4
• Title of publication: Effective double-ended chelating agents: crystal structures of N,N,N′,N′-tetraacetyl diamino derivatives and their chelates
• Authors of publication: Aakeröy, Christer B.; Desper, John; Haque, Naheed; Hussain, Izhar
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 3218
• a: 14.7246 ± 0.0015 Å
• b: 11.3474 ± 0.0011 Å
• c: 7.8352 ± 0.0008 Å
• α: 90°
• β: 90.917 ± 0.005°
• γ: 90°
• Cell volume: 1309 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0635
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No