Information card for entry 7203935

Structure parameters

• Formula: C25 H31 F O6
• Calculated formula: C25 H31 F O6
• SMILES: C1=CC(=O)C=C2CC[C@@H]3[C@@](F)([C@@]12C)[C@@H](O)C[C@]1([C@H]3C[C@]23O[C@@H](O[C@@]13C(=O)OC2)CCC)C
• Title of publication: Novel glucocorticoid antedrugs possessing a C16,17-fused γ-lactone ring
• Authors of publication: Keith Biggadike; Sean M. Lynn; Panayiotis A. Procopiou; Rupert E. Shaw; Christopher Williamson
• Journal of publication: J. Chem. Soc., Perkin Trans. 1
• Year of publication: 2000
• Journal issue: 5
• Pages of publication: 813 - 818
• a: 6.1029 ± 0.0016 Å
• b: 13.105 ± 0.002 Å
• c: 14.153 ± 0.002 Å
• α: 90°
• β: 94.418 ± 0.015°
• γ: 90°
• Cell volume: 1128.6 ± 0.4 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1104
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for all reflections: 0.1973
• Weighted residual factors for significantly intense reflections: 0.1707
• Goodness-of-fit parameter for all reflections: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No