Information card for entry 2008063

Structure parameters

• Common name: (2,2'-biphenoxy)(cyclohexylamino)phosphate
• Chemical name: 2,2'-Biphenyl (Cyclohexylamino)phosphonate
• Formula: C18 H20 N O3 P
• Calculated formula: C18 H20 N O3 P
• SMILES: P1(=O)(Oc2ccccc2c2ccccc2O1)NC1CCCCC1
• Title of publication: 2,2'-Biphenyl (cyclohexylamino)phosphonate: a hydrogen-bonded dimer
• Authors of publication: Muthaiah, C.; Kumara Swamy, K. C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 110 - 112
• a: 11.834 ± 0.002 Å
• b: 12.159 ± 0.004 Å
• c: 12.438 ± 0.004 Å
• α: 90°
• β: 112.77 ± 0.02°
• γ: 90°
• Cell volume: 1650.2 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.064
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No