Information card for entry 1551772

Structure parameters

• Formula: C16 H20 N2 O2
• Calculated formula: C16 H20 N2 O2
• SMILES: O=C1N(C(=C(C)c2ccccc2)N(C(=O)C1(C)C)C)C
• Title of publication: Crystal Structure of Dihydro-1,3,5,5-tetramethyl-2-(1-phenylethylidene)-4,6(1H,5H)-pyrimidinedione
• Authors of publication: TAKECHI, Haruko; KUBO, Kanji; TAKAHASHI, Hajime; MATSUMOTO, Taisuke
• Journal of publication: X-ray Structure Analysis Online
• Year of publication: 2010
• Journal volume: 26
• Pages of publication: 77
• a: 15.294 ± 0.004 Å
• b: 6.9869 ± 0.0018 Å
• c: 15.239 ± 0.004 Å
• α: 90°
• β: 116.154 ± 0.015°
• γ: 90°
• Cell volume: 1461.7 ± 0.7 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No