Information card for entry 4030326

Structure parameters

• Formula: C25 H42 N O2 P
• Calculated formula: C25 H42 N O2 P
• SMILES: [C@H]1(C[C@@H](CC[C@H]1C(C)C)C)O[P@](=O)(CN(C1CCCCC1)C)Cc1ccccc1
• Title of publication: Catalyst-Free and Selective C-N Bond Functionalization: Stereospecific Three-Component Coupling of Amines, Dichloromethane, and >P(O)H Species Affording α-Aminophosphorus Compounds.
• Authors of publication: Zhao, Yalei; Chen, Xiuling; Chen, Tieqiao; Zhou, Yongbo; Yin, Shuang-Feng; Han, Li-Biao
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 80
• Journal issue: 1
• Pages of publication: 62
• a: 8.637 ± 0.003 Å
• b: 10.927 ± 0.004 Å
• c: 26.065 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2459.9 ± 1.6 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No