Information card for entry 4104956

Structure parameters

• Formula: C38 H40 Cl N O11
• Calculated formula: C38 H40 Cl N O11
• SMILES: Clc1c2[C@H](OCOC)CC(=O)NC[C@H]3O[C@H](O[C@@]43C#CC3=CC[C@H]5OC(O[C@@]35[C@H](Oc1c(OC)cc2)C#C[C@H]4OC)(C)C)c1ccc(OC)cc1
• Title of publication: Total Synthesis and Structure Revision of the (-)-Maduropeptin Chromophore
• Authors of publication: Kazuo Komano; Satoshi Shimamura; Yutaro Norizuki; Donglin Zhao; Chizuko Kabuto; Itaru Sato; Masahiro Hirama
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 12072 - 12073
• a: 8.817 ± 0.003 Å
• b: 17.774 ± 0.006 Å
• c: 22.892 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3587 ± 2 ų
• Cell temperature: 173.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No