Information card for entry 8106348

Structure parameters

• Formula: C26 H41 N O5
• Calculated formula: C26 H41 N O5
• SMILES: [C@]123CCC(=O)[C@H]1[C@@]([C@@H](CC2)C)([C@@H](C[C@]([C@H]([C@@H]3C)O)(C=C)C)OC(=O)CN1C[C@@H](CC1)O)C
• Title of publication: Crystal structure of (3aR,4R,5R,7R,8S,9R,9aS,12R)-7-ethyl-5-(1-hydroxy-2-((R)-3-hydroxypyrrolidin-1-yl)ethoxy)-4,7,9,12-tetramethyldecahydro-4,9a-propanocyclopenta[8]annulene-3,8-diol – a pleuromutilin derivative, C26H41NO5
• Authors of publication: Liang, Yan; Fu, Yun-Xing; Liang, Jian-Ping
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 923 - 925
• a: 9.6178 ± 0.0008 Å
• b: 13.3335 ± 0.0011 Å
• c: 19.0758 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2446.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0472
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No