Information card for entry 7156611

Structure parameters

• Formula: C22 H17 Br N2 O6
• Calculated formula: C22 H17 Br N2 O6
• Title of publication: A novel multicomponent quadruple/double quadruple domino reaction: highly efficient synthesis of polyheterocyclic architectures.
• Authors of publication: Bakthadoss, Manickam; Jayakumar, Srinivasan; Raman, Selvakumar; Devaraj, Anthonisamy; Sharada, Duddu S.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 16
• Pages of publication: 3884 - 3893
• a: 8.0079 ± 0.0007 Å
• b: 10.6912 ± 0.0011 Å
• c: 12.9965 ± 0.0011 Å
• α: 79.773 ± 0.008°
• β: 82.666 ± 0.007°
• γ: 69.817 ± 0.008°
• Cell volume: 1025.11 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.101
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No