Information card for entry 2205524

Structure parameters

• Chemical name: 4-p-Tolyl-1,3,4,4a,5,6,7,8a-octahydro-2H-pyrano[2,3-d]pyrimidin-2-one
• Formula: C14 H18 N2 O2
• Calculated formula: C14 H18 N2 O2
• Title of publication: 4-<i>p</i>-Tolyl-1,3,4,4a,5,6,7,8a-octahydro-2<i>H</i>-pyrano[2,3-<i>d</i>]pyrimidin-2-one
• Authors of publication: Lei Yan; Yu-Lin Zhu; Yuan-Jiang Pan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o1049 - o1051
• a: 7.7151 ± 0.001 Å
• b: 8.5541 ± 0.0011 Å
• c: 9.6887 ± 0.0013 Å
• α: 88.516 ± 0.002°
• β: 76.964 ± 0.002°
• γ: 83.401 ± 0.002°
• Cell volume: 618.81 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0429
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes