Information card for entry 4033169

Structure parameters

• Formula: C25.25 H28.5 Cl0.5 N2 O7
• Calculated formula: C25.25 H28.5 Cl0.5 N2 O7
• 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: 8.954 ± 0.006 Å
• b: 30.616 ± 0.017 Å
• c: 10.213 ± 0.007 Å
• α: 90°
• β: 109.783 ± 0.016°
• γ: 90°
• Cell volume: 2635 ± 3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2097
• Residual factor for significantly intense reflections: 0.1909
• Weighted residual factors for significantly intense reflections: 0.4314
• Weighted residual factors for all reflections included in the refinement: 0.4524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.628
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No