Information card for entry 7230342

Structure parameters

• Formula: C22 H25 N5 O4
• Calculated formula: C22 H25 N5 O4
• Title of publication: Solid acid-catalyzed domino cyclization reaction: regio- and diastereoselective synthesis of pyrido[2,3-d]pyrimidine derivatives bearing three contiguous stereocenters
• Authors of publication: Zhang, Furen; Li, Chunmei; Liang, Xuezheng
• Journal of publication: Green Chemistry
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 9
• Pages of publication: 2057
• a: 9.324 ± 0.003 Å
• b: 9.76 ± 0.003 Å
• c: 12.772 ± 0.004 Å
• α: 75.736 ± 0.006°
• β: 70.173 ± 0.005°
• γ: 77.227 ± 0.005°
• Cell volume: 1047.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0664
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No