Information card for entry 2228039

Structure parameters

• Chemical name: 2-Isopropyl-5-methylcyclohexyl <i>N</i>-cyclohexyl-<i>P</i>-phenylphosphonamidate
• Formula: C22 H36 N O2 P
• Calculated formula: C22 H36 N O2 P
• SMILES: N([P@](=O)(O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C)c1ccccc1)C1CCCCC1
• Title of publication: 2-Isopropyl-5-methylcyclohexyl <i>N</i>-cyclohexyl-<i>P</i>-phenylphosphonamidate
• Authors of publication: Meng, Fan-Jie; Xu, Hao; Liu, Li-Juan; Wang, Daqi; Zhao, Chang-Qiu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2352
• a: 10.0205 ± 0.001 Å
• b: 10.4317 ± 0.0011 Å
• c: 22.101 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2310.2 ± 0.4 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: 0.0841
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes