Information card for entry 1575449

Structure parameters

• Formula: C27 H20 Br2
• Calculated formula: C27 H20 Br2
• Title of publication: Efficient C(sp3)–H alkylation of fluorene and bisindolylmethane synthesis catalysed by a PNN-Ni complex using alcohols
• Authors of publication: Mohite, Manali A.; Balakrishna, Maravanji S.
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 5713 - 5723
• a: 8.9193 ± 0.001 Å
• b: 10.1578 ± 0.0011 Å
• c: 13.6811 ± 0.0014 Å
• α: 69.54 ± 0.003°
• β: 87.768 ± 0.004°
• γ: 68.277 ± 0.003°
• Cell volume: 1073 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No