Information card for entry 8102174

Structure parameters

• Chemical name: (2S,3R,4S)-1'-deoxy-omuralide
• Formula: C10 H15 N O3
• Calculated formula: C10 H15 N O3
• SMILES: N1C(=O)[C@H]([C@H]2OC(=O)[C@@]12CC(C)C)C
• Title of publication: Crystal structure of (2S,3R,4S)-1'-deoxy-omuralide, C~10~H~15~NO~3~
• Authors of publication: Frey, Wolfgang; Li, Feng; Jäger, Volker
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 355 - 356
• a: 7.5297 ± 0.0018 Å
• b: 7.7321 ± 0.0017 Å
• c: 18.921 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1101.6 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0742
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1329
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No