Information card for entry 2010198

Structure parameters

• Formula: C19 H24 F N O
• Calculated formula: C19 H24 F N O
• SMILES: N#CC[C@@H]1[C@H]2CCc3c([C@@H]2CC[C@@]1(C)CF)ccc(c3)OC
• Title of publication: <small>D</small>-Secoestrone derivatives. III. 17-Fluoro-3-methoxy-16,17-secoestra-1,3,5(10)-triene-16-nitrile
• Authors of publication: Stanković, S.; Petrović, J.; Miljković, D.; Pejanović, V.; Stefanović, A.; Bruvo, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 1745 - 1747
• a: 8.981 ± 0.006 Å
• b: 25.31 ± 0.006 Å
• c: 7.545 ± 0.003 Å
• α: 90°
• β: 109.11 ± 0.03°
• γ: 90°
• Cell volume: 1620.5 ± 1.3 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.055
• Goodness-of-fit parameter for significantly intense reflections: 0.349
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No