Information card for entry 2001024

Structure parameters

• Formula: C24 H29 F O4
• Calculated formula: C24 H29 F O4
• SMILES: CC(=O)O[C@@]1(CC[C@@H]2[C@]1(C)CC[C@@H]1[C@H]2C=C(C2=CC(=O)[C@@H]3[C@H]([C@@]12C)C3)F)C(=O)C
• Title of publication: Structure of 6-fluoro-1β,2β-methylene-3,20-dioxo-9β,10α-pregna-4,6-dien-17α-yl acetate
• Authors of publication: Wawrzak, Z.; Griffin, J. F.; Strong, P. D.; Duax, W. L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1992
• Journal volume: 48
• Journal issue: 3
• Pages of publication: 570 - 572
• a: 12.207 ± 0.001 Å
• b: 14.715 ± 0.001 Å
• c: 11.572 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2078.6 ± 0.3 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No