Information card for entry 7240293

Structure parameters

• Formula: C18 H20 Br N O4
• Calculated formula: C18 H20 Br N O4
• Title of publication: About the selectivity and reactivity of active nickel electrodes in C‒C coupling reactions
• Authors of publication: Beil, Sebastian B.; Breiner, Manuel; Schulz, Lara; Schüll, Aaron; Müller, Timo; Schollmeyer, Dieter; Bomm, Alexander; Holtkamp, Michael; Karst, Uwe; Schade, Wolfgang; Waldvogel, Siegfried R.
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 24
• Pages of publication: 14249 - 14253
• a: 29.725 ± 0.0014 Å
• b: 7.9068 ± 0.0003 Å
• c: 15.6809 ± 0.0009 Å
• α: 90°
• β: 108.574 ± 0.004°
• γ: 90°
• Cell volume: 3493.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No