Information card for entry 4026382

Structure parameters

• Common name: 15a
• Formula: C28 H36 N2 O7 S
• Calculated formula: C28 H36 N2 O7 S
• Title of publication: Benzotriazole-Mediated Syntheses of Depsipeptides and Oligoesters
• Authors of publication: Ilker Avan; Srinivasa R. Tala; Peter J. Steel; Alan R. Katritzky
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 4884 - 4893
• a: 8.8137 ± 0.0003 Å
• b: 14.3997 ± 0.0004 Å
• c: 11.5592 ± 0.0004 Å
• α: 90°
• β: 102.084 ± 0.002°
• γ: 90°
• Cell volume: 1434.52 ± 0.08 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 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: 0.0722
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for significantly intense reflections: 0.1565
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No