Information card for entry 2011911

Structure parameters

• Formula: C25 H33 N O4
• Calculated formula: C25 H33 N O4
• SMILES: C(C1=C(O)CC(C)(C)CC1=O)(C1=C(O)CC(C)(C)CC1=O)c1ccc(N(C)C)cc1
• Title of publication: Packing considerations of bis-dimedone derivatives
• Authors of publication: Bolte, Michael; Degen, Alexander; Rühl, Stephan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: 446 - 451
• a: 9.223 ± 0.001 Å
• b: 12.012 ± 0.001 Å
• c: 20.661 ± 0.001 Å
• α: 90°
• β: 101.42 ± 0.01°
• γ: 90°
• Cell volume: 2243.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes