Information card for entry 7204234

Structure parameters

• Common name: mpc
• Chemical name: Macrosphelide C
• Formula: C16 H22 O7
• Calculated formula: C16 H22 O7
• SMILES: C1(=O)C[C@@H](OC(=O)C=CC[C@@H](OC(=O)C=C[C@@H](O)[C@@H](O1)C)C)C
• Title of publication: Additions of stabilised and semi-stabilised sulfur ylides to tosyl protected imines: are they under kinetic or thermodynamic control?
• Authors of publication: Aggarwal, Varinder K.; Charmant, Jonathan P. H.; Ciampi, Cinzia; Hornby, Jonathan M.; O'Brien, Christopher J.; Hynd, George; Parsons, Richard
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 1
• Year of publication: 2001
• Journal issue: 23
• Pages of publication: 3159
• a: 10.514 ± 0.002 Å
• b: 28.46 ± 0.002 Å
• c: 5.86 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1753.5 ± 0.7 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0532
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No