Information card for entry 4031906

Structure parameters

• Formula: C23 H33 O5 P
• Calculated formula: C23 H33 O5 P
• SMILES: [P@]12(=O)O[C@H](CC(=C)C)C[C@H](O1)CC(=CCCC[C@@H](O2)COCc1ccccc1)C
• Title of publication: Phosphate Tether-Mediated Ring-Closing Metathesis for the Generation of P-Stereogenic, Z-Configured Bicyclo[7.3.1]- and Bicyclo[8.3.1]phosphates.
• Authors of publication: Markley, Jana L.; Maitra, Soma; Hanson, Paul R.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 3
• Pages of publication: 899 - 911
• a: 6.0855 ± 0.0004 Å
• b: 20.704 ± 0.0013 Å
• c: 9.2928 ± 0.0006 Å
• α: 90°
• β: 107.58 ± 0.001°
• γ: 90°
• Cell volume: 1116.16 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No