Information card for entry 2229953

Structure parameters

• Chemical name: <i>N</i>-<i>tert</i>-Butyl <i>O</i>-2-isopropyl-5-methylcyclohexyl phenylphosphonamidate
• Formula: C20 H34 N O2 P
• Calculated formula: C20 H34 N O2 P
• SMILES: [P@](=O)(O[C@H]1[C@H](C(C)C)CC[C@H](C1)C)(NC(C)(C)C)c1ccccc1
• Title of publication: <i>N</i>-<i>tert</i>-Butyl <i>O</i>-2-isopropyl-5-methylcyclohexyl phenylphosphonamidate
• Authors of publication: Liu, Li-Juan; Meng, Fan-Jie; Xu, Hao; Wang, Daqi; Zhao, Chang-Qiu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1244
• a: 8.305 ± 0.003 Å
• b: 11.064 ± 0.004 Å
• c: 22.557 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2072.7 ± 1.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1203
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes