Information card for entry 8104978

Structure parameters

• Formula: C32 H49 N3 O6 S
• Calculated formula: C32 H49 N3 O6 S
• Title of publication: Crystal structure of 14-O-[(4-(4-hydroxypiperidine-1-yl)-6-methylpyrimidine-2-yl)thioacetyl]-mutilin monohydrate, C32H49N3O6S
• Authors of publication: Liu, Si-Jie; Fan, Yuan; Shang, Ruofeng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 1
• Pages of publication: 125 - 127
• a: 9.2618 ± 0.0002 Å
• b: 12.4066 ± 0.0002 Å
• c: 27.2256 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3128.42 ± 0.1 ų
• Cell temperature: 173.2 ± 0.1 K
• Ambient diffraction temperature: 173.2 ± 0.1 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 all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1293
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No