Information card for entry 7247251

Structure parameters

• Formula: C19 H24 B P
• Calculated formula: C19 H24 B P
• SMILES: [P]([C@H]1C[C@@H]2CC[C@H]1C2)(c1ccccc1)([BH3])c1ccccc1.[P]([C@@H]1C[C@H]2CC[C@@H]1C2)(c1ccccc1)([BH3])c1ccccc1
• Title of publication: Photoinduced ligand-to-iron charge transfer enabled C(sp3)–H phosphorylation of hydrocarbons
• Authors of publication: Shi, Wei; Zhong, Ping-Fu; Qi, Xu-Kuan; Yang, Chao; Guo, Lin; Xia, Wujiong
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 19
• Pages of publication: 7817 - 7824
• a: 6.6016 ± 0.0001 Å
• b: 17.7257 ± 0.0004 Å
• c: 14.5686 ± 0.0003 Å
• α: 90°
• β: 101.613 ± 0.002°
• γ: 90°
• Cell volume: 1669.89 ± 0.06 ų
• Cell temperature: 180.3 ± 0.7 K
• Ambient diffraction temperature: 180.3 ± 0.7 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 all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No