Information card for entry 2000325

Structure parameters

• Formula: C20 H24 O4
• Calculated formula: C20 H24 O4
• SMILES: CC(=O)O[C@H]1C[C@]2(C)C(=O)CC[C@H]2[C@H]2[C@H]1c1ccc(cc1CC2)O
• Title of publication: Structure of 3-hydroxy-17-oxoestra-1,3,5(10)-trien-11β-yl acetate
• Authors of publication: Duax, W. L.; Duax, S. J.; Strong, P. D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 1094 - 1096
• a: 11.688 ± 0.003 Å
• b: 15.377 ± 0.005 Å
• c: 9.466 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1701.3 ± 0.8 ų
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No