Information card for entry 2212838

Structure parameters

• Chemical name: 2-Dipropylamino-6-methyl-5-(4-methylphenyl)-3,8-diphenyl-5,8- dihydropyrazolo[4',3':5,6]pyrano[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one
• Formula: C34 H35 N5 O2
• Calculated formula: C34 H35 N5 O2
• SMILES: c1ccccc1n1c2c(c(C)n1)C(c1c(nc(n(c1=O)c1ccccc1)N(CCC)CCC)O2)c1ccc(cc1)C
• Title of publication: 2-Dipropylamino-6-methyl-5-(4-methylphenyl)-3,8-diphenyl-5,8-dihydropyrazolo[4',3':5,6]pyrano[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one
• Authors of publication: Ren, Qing-Yun; He, Hong-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1921 - o1923
• a: 8.9705 ± 0.0008 Å
• b: 13.5961 ± 0.0012 Å
• c: 14.3869 ± 0.0012 Å
• α: 111.213 ± 0.002°
• β: 98.877 ± 0.002°
• γ: 108.884 ± 0.002°
• Cell volume: 1472.6 ± 0.2 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: 0.1043
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes