Information card for entry 1505507

Structure parameters

• Common name: CG-712
• Formula: C28 H36 N2 O7
• Calculated formula: C28 H36 N2 O7
• SMILES: c1(ccccc1CC(OC)OC)NC(=O)[C@]12COC(C)(C)O[C@@H]1[C@H](C)C(=O)N2Cc1ccc(cc1)OC
• Title of publication: New entry to convertible isocyanides for the Ugi reaction and its application to the stereocontrolled formal total synthesis of the proteasome inhibitor omuralide.
• Authors of publication: Gilley, Cynthia B.; Buller, Matthew J.; Kobayashi, Yoshihisa
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 18
• Pages of publication: 3631 - 3634
• a: 8.525 ± 0.0009 Å
• b: 12.077 ± 0.0014 Å
• c: 25.174 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2591.8 ± 0.5 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 4
• 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: 0.0506
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No