Information card for entry 2229583

Structure parameters

• Common name: 2-Isopropyl-5-methylcyclohexyl diphenylphosphonamidate
• Chemical name: <i>N</i>-({[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}(phenyl)phosphoryl)aniline
• Formula: C22 H30 N O2 P
• Calculated formula: C22 H30 N O2 P
• SMILES: C1[C@H](C[C@@H](O[P@](=O)(c2ccccc2)Nc2ccccc2)[C@H](C(C)C)C1)C
• Title of publication: 2-Isopropyl-5-methylcyclohexyl diphenylphosphonamidate
• Authors of publication: Meng, Fan-Jie; Zhao, Chang-Qiu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o998
• a: 8.6934 ± 0.0008 Å
• b: 5.4716 ± 0.0005 Å
• c: 22.1 ± 0.002 Å
• α: 90°
• β: 101.006 ± 0.001°
• γ: 90°
• Cell volume: 1031.89 ± 0.16 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0632
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes