Information card for entry 7235645

Structure parameters

• Formula: C62 H61 Br4.03 N4 O10 S2
• Calculated formula: C62 H61 Br4.03 N4 O10 S2
• Title of publication: Synthesis, characterization and biological evaluation of fused thiazolo[3,2-a]pyrimidine derivatives
• Authors of publication: Banothu, Janardhan; Khanapur, Manjulatha; Basavoju, Srinivas; Bavantula, Rajitha; Narra, Muralikrishna; Abbagani, Sadanandam
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 44
• Pages of publication: 22866
• a: 12.9 ± 0.0012 Å
• b: 14.6334 ± 0.0014 Å
• c: 16.944 ± 0.0016 Å
• α: 87.112 ± 0.002°
• β: 84.698 ± 0.002°
• γ: 74.154 ± 0.002°
• Cell volume: 3062.8 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0845
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No