Information card for entry 7025079

Structure parameters

• Formula: C71 H96 Mo2 O8 P4
• Calculated formula: C71 H96 Mo2 O8 P4
• Title of publication: Synthesis of (1R,4S,6R)-5,5,6-trimethyl-2-phosphabicyclo[2.2.2]octane and derivatives.
• Authors of publication: Edwards, Peter G.; Knight, James C.; Newman, Paul D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 16
• Pages of publication: 3851 - 3860
• a: 17.118 ± 0.003 Å
• b: 8.9172 ± 0.0018 Å
• c: 22.259 ± 0.005 Å
• α: 90°
• β: 97.6 ± 0.03°
• γ: 90°
• Cell volume: 3367.9 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1204
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No