Information card for entry 1516706

Structure parameters

• Formula: C25 H41 N3 O5 Si2
• Calculated formula: C25 H41 N3 O5 Si2
• SMILES: [Si](/C(=C/c1c(=O)[nH]c(nc1N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C)C#C[Si](C)(C)C)(C)(C)C
• Title of publication: Microwave Assisted Tandem Heck-Sonogashira Reactions of N,N-Di-Boc-Protected 6-Amino-5-iodo-2-methyl Pyrimidin-4-ol in An Efficient Approach to Functionalized Pyrido[2,3-d]Pyrimidines.
• Authors of publication: Liu, Yang; Jin, Shiyu; Wang, Zi; Song, Linhua; Hu, Youhong
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 13
• Pages of publication: 3524 - 3527
• a: 10.7784 ± 0.0009 Å
• b: 30.335 ± 0.003 Å
• c: 10.6785 ± 0.0009 Å
• α: 90°
• β: 115.168 ± 0.002°
• γ: 90°
• Cell volume: 3160 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1422
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 0.944
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No