Information card for entry 7238893

Structure parameters

• Formula: C37 H35 Cl2 N9 O5
• Calculated formula: C37 H35 Cl2 N9 O5
• Title of publication: An efficient stereo-controlled synthesis of bis-pyrimido-[4,5-d]-pyrimidine derivatives via aza-Diels‒Alder methodology and their preliminary bioactivity
• Authors of publication: Das, Subrata; Thakur, Ashim Jyoti; Medhi, Tapas; Das, Babulal
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 10
• Pages of publication: 3407
• a: 16.0317 ± 0.0017 Å
• b: 22.181 ± 0.002 Å
• c: 10.2433 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3642.5 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.2139
• Weighted residual factors for all reflections included in the refinement: 0.2467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No