Information card for entry 2005377

Structure parameters

• Formula: C22 H28 O3
• Calculated formula: C22 H28 O3
• SMILES: C#C[C@@]1(CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2CCC2=CC(=O)CC[C@H]12)OC(=O)C
• Title of publication: 17α-Ethynyl-19-nor-3-oxo-4-androsten-17β-yl Acetate (Norethindrone Acetate)
• Authors of publication: Steiner, Th.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 9
• Pages of publication: 2261 - 2263
• a: 6.8302 ± 0.0008 Å
• b: 12.164 ± 0.001 Å
• c: 23.846 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1981.2 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• 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
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.156
• Goodness-of-fit parameter for significantly intense reflections: 1.09
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No