Information card for entry 2201022

Structure parameters

• Common name: cis-[4a]-cisoid-[4a,4b]-cis-[4b]-4b,8b-Diethyl-1,3,5,7-tetramethylperhydro- 1,3,5,7-tetraazabiphenylene-2,4,6,8-tetraone
• Formula: C16 H24 N4 O4
• Calculated formula: C16 H24 N4 O4
• SMILES: N1(C(=O)N(C(=O)C2C1(CC)C1C(=O)N(C(=O)N(C21CC)C)C)C)C
• Title of publication: <i>cis</i>-[4a]-<i>cisoid</i>-[4a,4b]-<i>cis</i>-[4b]-4b,8b-Diethyl-1,3,5,7-tetramethylperhydro-1,3,5,7-tetraazabiphenylene-2,4,6,8-tetraone
• Authors of publication: Näther, Christian; Krüger, Oliver; Wille, Uta
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: o407 - o408
• a: 10.0526 ± 0.0005 Å
• b: 13.5979 ± 0.0006 Å
• c: 24.7047 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3377 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1233
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes