Information card for entry 7249880

Structure parameters

• Formula: C20 H18 Br N2 O P
• Calculated formula: C20 H18 Br N2 O P
• Title of publication: Sono- and mechanochemical dual syntheses of bio-relevant aryldiazenyl-substituted phosphine oxides/phosphonates via P(O)–H functionalisation
• Authors of publication: Mukherjee, Debojyoti; Karmakar, Indrajit; Brahmachari, Goutam
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 9
• Pages of publication: 2565 - 2577
• a: 6.9964 ± 0.0006 Å
• b: 8.4138 ± 0.0008 Å
• c: 17.0464 ± 0.0018 Å
• α: 86.124 ± 0.008°
• β: 89.703 ± 0.008°
• γ: 73.686 ± 0.008°
• Cell volume: 960.75 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1093
• Residual factor for significantly intense reflections: 0.0761
• Weighted residual factors for significantly intense reflections: 0.2226
• Weighted residual factors for all reflections included in the refinement: 0.2541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No