Information card for entry 7058715

Structure parameters

• Formula: C28 H30 Br N5 O4 S
• Calculated formula: C28 H30 Br N5 O4 S
• Title of publication: A diversity-oriented synthesis of polyheterocycles via the cyclocondensation of azomethine imine
• Authors of publication: Ansari, Arshad J.; Pathare, Ramdas S.; Kumawat, Anita; Maurya, Antim K.; Verma, Sarika; Agnihotri, Vijai K.; Joshi, Rahul; Metre, Ramesh K.; Sharon, Ashoke; Pardasani, R. T.; Sawant, Devesh M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 35
• Pages of publication: 13721
• a: 11.1312 ± 0.0014 Å
• b: 12.9663 ± 0.0017 Å
• c: 19.98 ± 0.003 Å
• α: 82.601 ± 0.002°
• β: 89.156 ± 0.002°
• γ: 78.132 ± 0.002°
• Cell volume: 2798.4 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0908
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1785
• Weighted residual factors for all reflections included in the refinement: 0.2357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No