Information card for entry 7053434

Structure parameters

• Formula: C29 H38 N2 O4
• Calculated formula: C29 H38 N2 O4
• SMILES: C1(N(C(=O)C(=O)N1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)OC(=O)C
• Title of publication: The influence of electron delocalization upon the stability and structure of potential N-heterocyclic carbene precursors with 1,3-diaryl-imidazolidine-4,5-dione skeletons
• Authors of publication: Hobbs, Matthew G.; Forster, Taryn D.; Borau-Garcia, Javier; Knapp, Chrissy J.; Tuononen, Heikki M.; Roesler, Roland
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1295
• a: 19.3 ± 0.002 Å
• b: 12.239 ± 0.002 Å
• c: 11.804 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2788.3 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0887
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1098
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No