Information card for entry 4316776

Structure parameters

• Formula: C11 H16 K N2 O6 P
• Calculated formula: C11 H16 K N2 O6 P
• Title of publication: Synthesis and Reactivity of (Benzoxazol-2-ylmethyl)phosphonic Acid
• Authors of publication: Sylvie Pailloux; Cornel Edicome Shirima; Karen Ann Smith; Eileen N. Duesler; Robert T. Paine; Neil J. Williams; Robert D. Hancock
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9369 - 9379
• a: 7.4875 ± 0.0005 Å
• b: 14.295 ± 0.0008 Å
• c: 28.8098 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3083.6 ± 0.3 ų
• Cell temperature: 228 ± 2 K
• Ambient diffraction temperature: 228 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No