Information card for entry 2001954

Structure parameters

• Formula: C19 H25 N O4
• Calculated formula: C19 H25 N O4
• SMILES: O/N=C1/[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@@H]3O)C)c2c([C@H]1O)cc(cc2)OC
• Title of publication: Structure of 3-methoxy-6α,17β-dihydroxyestra-1,3,5(10)-trien-7-one oxime
• Authors of publication: Ribár, B.; Stanković, S.; Mészáros, C.; Miljković, D.; Pejanović, V.; Petrović, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 270 - 273
• a: 14.95 ± 0.002 Å
• b: 9.248 ± 0.001 Å
• c: 12.597 ± 0.001 Å
• α: 90°
• β: 100.98 ± 0.01°
• γ: 90°
• Cell volume: 1709.7 ± 0.3 ų
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No