Information card for entry 4517476

Structure parameters

• Formula: C23 H33 Br O
• Calculated formula: C23 H33 Br O
• SMILES: Br/C1=C(\c2ccc(cc2)C(=O)C)CCCCCCCCCCCCC1
• Title of publication: Nickel-Catalyzed Intermolecular Carbobromination of Alkynes
• Authors of publication: Takahashi, Toshifumi; Kurahashi, Takuya; Matsubara, Seijiro
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 6
• Pages of publication: 3773 - 3777
• a: 15.7036 ± 0.0016 Å
• b: 13.5822 ± 0.0014 Å
• c: 9.9735 ± 0.001 Å
• α: 90°
• β: 97.264 ± 0.007°
• γ: 90°
• Cell volume: 2110.2 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No