Information card for entry 7150166

Structure parameters

• Formula: C24 H34 N2 O10 P2
• Calculated formula: C24 H34 N2 O10 P2
• SMILES: C(=O)(CP(=O)(OCC)OCC)OCc1cc(c2cc(ccn2)COC(=O)CP(=O)(OCC)OCC)ncc1
• Title of publication: A phase-switch purification approach for the expedient removal of tagged reagents and scavengers following their application in organic synthesis.
• Authors of publication: Siu, Jason; Baxendale, Ian R.; Lewthwaite, Russell A.; Ley, Steven V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 17
• Pages of publication: 3140 - 3160
• a: 6.9456 ± 0.0005 Å
• b: 8.5692 ± 0.0005 Å
• c: 12.8364 ± 0.0008 Å
• α: 95.764 ± 0.004°
• β: 92.302 ± 0.003°
• γ: 113.556 ± 0.003°
• Cell volume: 694.09 ± 0.08 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 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: 0.0678
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No