Information card for entry 4033171

Structure parameters

• Formula: C27 H30 N2 O9
• Calculated formula: C27 H30 N2 O9
• SMILES: O=C1N([C@@H]([C@]2(OC(=O)OC)[C@]1(C(=O)O[C@H]2c1ccc(N(=O)=O)cc1)C)CC(C)C)Cc1ccc(OC)cc1.O=C1N([C@H]([C@@]2(OC(=O)OC)[C@@]1(C(=O)O[C@@H]2c1ccc(N(=O)=O)cc1)C)CC(C)C)Cc1ccc(OC)cc1
• Title of publication: Formal Total Synthesis of (+)-C9-Deoxyomuralide from l-Leucine Using a Double Sacrificial Chirality Transfer Approach.
• Authors of publication: Bulman Page, Philip C.; Goodyear, Ross L.; Horton, Alexandra E.; Chan, Yohan; Karim, Rehana; O'Connell, Maria A; Hamilton, Christopher; Slawin, Alexandra M. Z.; Buckley, Benjamin R.; Allin, Steven M.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 23
• Pages of publication: 12209 - 12223
• a: 18.721 ± 0.012 Å
• b: 18.189 ± 0.008 Å
• c: 30.942 ± 0.016 Å
• α: 90°
• β: 99.292 ± 0.012°
• γ: 90°
• Cell volume: 10398 ± 10 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.202
• Residual factor for significantly intense reflections: 0.1548
• Weighted residual factors for significantly intense reflections: 0.3752
• Weighted residual factors for all reflections included in the refinement: 0.4401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No