Information card for entry 2003795

Structure parameters

• Formula: C19 H23 N O4
• Calculated formula: C19 H23 N O4
• SMILES: O/N=C1\[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@H]3O)C)c2c(C1=O)cc(cc2)OC
• Title of publication: 17β-Hydroxy-3-methoxyestra-1,3,5(10)-triene-6,7-dione 7-Oxime
• Authors of publication: Stankovic, S.; Lazar, D.; Petrovic, J.; Miljovic, D.; Pejanovic, V.; Courseille, C.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 8
• Pages of publication: 1581 - 1583
• a: 9.441 ± 0.001 Å
• b: 9.441 ± 0.002 Å
• c: 39.253 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3498.7 ± 0.9 ų
• Cell temperature: 295 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.063
• Goodness-of-fit parameter for significantly intense reflections: 1.9
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No