Information card for entry 2221979

Structure parameters

• Chemical name: 1,1',3,3',5,5'-Hexamethylspiro[furo[2,3-<i>d</i>]pyrimidine-6(5<i>H</i>),5'- pyrimidine]-2,2',4,4',6'(1<i>H</i>,3<i>H</i>,1'<i>H</i>,3'<i>H</i>,5'<i>H</i>)- pentaone
• Formula: C15 H18 N4 O6
• Calculated formula: C15 H18 N4 O6
• SMILES: O=C1N(C(=O)N(C(=O)C21OC1N(C(=O)N(C(=O)C=1C2(C)C)C)C)C)C
• Title of publication: 1,1',3,3',5,5'-Hexamethylspiro[furo[2,3-<i>d</i>]pyrimidine-6(5<i>H</i>),5'-pyrimidine]-2,2',4,4',6'(1<i>H</i>,3<i>H</i>,1'<i>H</i>,3'<i>H</i>,5'<i>H</i>)-pentaone
• Authors of publication: Noroozi Pesyan, Nader; Rastgar, Saeed; Hosseini, Yaser
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1444
• a: 8.0122 ± 0.0009 Å
• b: 11.9181 ± 0.0014 Å
• c: 16.4037 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1566.4 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes