Information card for entry 7151134

Structure parameters

• Formula: C39 H46 O6
• Calculated formula: C39 H46 O6
• SMILES: [C@H]1([C@H](O)CC(C)C)[C@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H](COCc2ccccc2)O1
• Title of publication: Synthesis of alkylated sugar amino acids: conformationally restricted L-Xaa-L-Ser/Thr mimics.
• Authors of publication: Risseeuw, Martijn D. P.; Mazurek, Jaroslaw; van Langenvelde, Arjan; van der Marel, Gijsbert A.; Overkleeft, Herman S.; Overhand, Mark
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2007
• Journal volume: 5
• Journal issue: 14
• Pages of publication: 2311 - 2314
• a: 6.052 ± 0.0001 Å
• b: 23.756 ± 0.0005 Å
• c: 23.944 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3442.46 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0747
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No