Information card for entry 8106540

Structure parameters

• Formula: C18 H24 Cl O5 P
• Calculated formula: C18 H24 Cl O5 P
• Title of publication: Crystal structure of 1-(diethoxy phosphonomethyl) 2-benzoyl-3-chloro-2-cyclohexen-1-ol, C18H24ClO5P
• Authors of publication: Maluleka, Marole M.; Mphahlele, Malose J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 3
• Pages of publication: 371 - 373
• a: 11.514 ± 0.0014 Å
• b: 11.5358 ± 0.0015 Å
• c: 15.582 ± 0.002 Å
• α: 76.106 ± 0.002°
• β: 77.556 ± 0.002°
• γ: 74.783 ± 0.003°
• Cell volume: 1912.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No