Information card for entry 2003319

Structure parameters

• Common name: Ethylenediamine-N,N'-dimethyl-N,N'-2,2'-di-6-tert-butyl-1,4-benzoquinone
• Chemical name: Ethylenediamine-N,N'-dimethyl-N,N'-2,2'-di-6-tert-butyl-1,4-benzoquinone
• Formula: C24 H32 N2 O4
• Calculated formula: C24 H32 N2 O4
• SMILES: O=C1C=C(N(CCN(C2=CC(=O)C=C(C2=O)C(C)(C)C)C)C)C(=O)C(=C1)C(C)(C)C
• Title of publication: Ethylenediamine-<i>N</i>,<i>N</i>'-dimethyl-<i>N</i>,<i>N</i>'-2,2'-di-6-<i>tert</i>-butyl-1,4-benzoquinone
• Authors of publication: Raptova, L.; Rapta, M.; Horak, V.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 734 - 736
• a: 6.197 ± 0.001 Å
• b: 9.348 ± 0.002 Å
• c: 9.713 ± 0.002 Å
• α: 83.9 ± 0.01°
• β: 84.97 ± 0.01°
• γ: 85.85 ± 0.02°
• Cell volume: 556.2 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction 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 all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections: 0.1598
• Weighted residual factors for significantly intense reflections: 0.1372
• Goodness-of-fit parameter for all reflections: 1.021
• Goodness-of-fit parameter for significantly intense reflections: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No