Information card for entry 4033173

Structure parameters

• Formula: C11.25 H19.5 Cl0.5 N O4
• Calculated formula: C11.25 H19.5 Cl0.5 N O4
• 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: 10.3698 ± 0.0015 Å
• b: 11.4667 ± 0.0012 Å
• c: 12.0264 ± 0.0011 Å
• α: 65.754 ± 0.008°
• β: 80.975 ± 0.012°
• γ: 85.855 ± 0.012°
• Cell volume: 1287.7 ± 0.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0695
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1936
• Weighted residual factors for all reflections included in the refinement: 0.2001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No