Information card for entry 2208271

Structure parameters

• Common name: N,N,N'-tris(benzyloxy)dicarbonimidic diamide
• Chemical name: N,N',N''-tribenzyloxyiminodicarbonic diamide
• Formula: C23 H23 N3 O5
• Calculated formula: C23 H23 N3 O5
• SMILES: C(c1ccccc1)ONC(=O)N(C(=O)NOCc1ccccc1)OCc1ccccc1
• Title of publication: <i>N</i>,<i>N</i>',<i>N</i>''-Tribenzyloxydicarbonimidic diamide
• Authors of publication: Đilović, Ivica; Matković-Čalogović, Dubravka; Kos, Ivan; Biruš, Mladen; Jadrijević Mladar-Takač, Milena
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o1016 - o1018
• a: 8.9947 ± 0.0017 Å
• b: 13.82 ± 0.003 Å
• c: 18.714 ± 0.003 Å
• α: 100.763 ± 0.014°
• β: 90.447 ± 0.014°
• γ: 107.227 ± 0.016°
• Cell volume: 2177.9 ± 0.8 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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: 0.0743
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No