Information card for entry 4134725

Structure parameters

• Formula: C17 H25 Cl2 N O7
• Calculated formula: C17 H25 Cl2 N O7
• Title of publication: Stereocontrolled Synthesis of (-)-Bactobolin A.
• Authors of publication: Vojáčková, Petra; Michalska, Lucyna; Nečas, Marek; Shcherbakov, Dimitri; Böttger, Erik C; Šponer, Jiří; Šponer, Judit E; Švenda, Jakub
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 16
• Pages of publication: 7306 - 7311
• a: 10.4482 ± 0.0004 Å
• b: 10.733 ± 0.0004 Å
• c: 10.9047 ± 0.0004 Å
• α: 91.558 ± 0.002°
• β: 113.438 ± 0.002°
• γ: 118.425 ± 0.002°
• Cell volume: 950.51 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0505
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No