Information card for entry 2214511

Structure parameters

• Common name: N,N'-Bis(N,N-dimethyl-p-isopropylphenylamine)bis(ethoxycarbonyl)glycoluril
• Chemical name: Diethyl 2,6-bis(4-isopropylphenyl)-4,8-dioxo-2,6,3a,4a,7a,8a- hexaazaperhydrocyclopenta[def]fluorene-8b,8c-dicarboxylate
• Formula: C32 H40 N6 O6
• Calculated formula: C32 H40 N6 O6
• SMILES: CC(C)c1ccc(cc1)N1CN2C(=O)N3C4(C2(C(=O)OCC)N(C1)C(=O)N4CN(C3)c1ccc(cc1)C(C)C)C(=O)OCC
• Title of publication: Diethyl 2,6-bis(4-isopropylphenyl)-4,8-dioxo-2,6,3a,4a,7a,8a-hexaazaperhydrocyclopenta[<i>def</i>]fluorene-8b,8c-dicarboxylate
• Authors of publication: Zi-Hua Wang; Juan Li; Jing Qin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3615 - o3615
• a: 10.109 ± 0.0013 Å
• b: 12.076 ± 0.0016 Å
• c: 13.356 ± 0.0018 Å
• α: 94.923 ± 0.002°
• β: 107.235 ± 0.002°
• γ: 91.014 ± 0.002°
• Cell volume: 1549.9 ± 0.4 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0659
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes