Information card for entry 7122241

Structure parameters

• Formula: C18 H18 Br Mn N2 O3 S
• Calculated formula: C18 H18 Br Mn N2 O3 S
• Title of publication: Phosphine free Mn-complex catalysed dehydrogenative C-C and C-heteroatom bond formation: a sustainable approach to synthesize quinoxaline, pyrazine, benzothiazole and quinoline derivatives.
• Authors of publication: Das, Kalicharan; Mondal, Avijit; Srimani, Dipankar
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 75
• Pages of publication: 10582 - 10585
• a: 16.5242 ± 0.0015 Å
• b: 9.503 ± 0.0008 Å
• c: 26.035 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4088.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0816
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1531
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No